3-tert-butyl-5-methyl-1,2,4-oxadiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;N-tert-butyl-5-methyl-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-5-methyl-1H-1,2,4-triazole;3-cyclopentyl-5-methyl-1H-1,2,4-triazole;3-cyclopropyl-5-methyl-1-methylsulfonyl-1,2,4-triazole;bis(3-cyclopropyl-5-methyl-1,2,4-oxadiazole);5-cyclopropyl-3-methyl-1,2,4-oxadiazole;3-cyclopropyl-5-methyl-1H-1,2,4-triazole;2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1H-pyrazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;3,5-dimethyl-1H-1,2,4-triazole;5-methyl-1,2,4-oxadiazole-3-carboxylic acid;5-methyl-3-phenyl-1,2,4-oxadiazole;5-methyl-1H-1,2,4-triazole-3-carboxamide;5-methyl-3-(trifluoromethyl)-1H-1,2,4-triazole

C134H197F3N54O19S3 — CID 160526672

IUPAC3-tert-butyl-5-methyl-1,2,4-oxadiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;N-tert-butyl-5-methyl-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-5-methyl-1H-1,2,4-triazole;3-cyclopentyl-5-methyl-1H-1,2,4-triazole;3-cyclopropyl-5-methyl-1-methylsulfonyl-1,2,4-triazole;bis(3-cyclopropyl-5-methyl-1,2,4-oxadiazole);5-cyclopropyl-3-methyl-1,2,4-oxadiazole;3-cyclopropyl-5-methyl-1H-1,2,4-triazole;2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1H-pyrazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;3,5-dimethyl-1H-1,2,4-triazole;5-methyl-1,2,4-oxadiazole-3-carboxylic acid;5-methyl-3-phenyl-1,2,4-oxadiazole;5-methyl-1H-1,2,4-triazole-3-carboxamide;5-methyl-3-(trifluoromethyl)-1H-1,2,4-triazole
SMILESCc1cn[nH]c1C.Cc1cnc(C)s1.Cc1cnoc1C.Cc1coc(C)n1.Cc1csc(C)n1.Cc1n[nH]c(C)n1.Cc1nc(-c2ccccc2)no1.Cc1nc(C(=O)NC(C)(C)C)no1.Cc1nc(C(=O)O)no1.Cc1nc(C(C)(C)C)n[nH]1.Cc1nc(C(C)(C)C)no1.Cc1nc(C(F)(F)F)n[nH]1.Cc1nc(C(N)=O)n[nH]1.Cc1nc(C2CC2)n[nH]1.Cc1nc(C2CC2)nn1S(C)(=O)=O.Cc1nc(C2CC2)no1.Cc1nc(C2CC2)no1.Cc1nc(C2CCCC2)n[nH]1.Cc1ncn(C)n1.Cc1nnc(C)o1.Cc1noc(C(C)(C)C)n1.Cc1noc(C)n1.Cc1noc(C)n1.Cc1noc(C2CC2)n1
InChIInChI=1S/C9H8N2O.C8H13N3O2.C8H13N3.C7H11N3O2S.C7H13N3.2C7H12N2O.C6H9N3.3C6H8N2O.C5H8N2.2C5H7NO.2C5H7NS.C4H4F3N3.C4H6N4O.2C4H7N3.C4H4N2O3.3C4H6N2O/c1-7-10-9(11-12-7)8-5-3-2-4-6-8;1-5-9-6(11-13-5)7(12)10-8(2,3)4;1-6-9-8(11-10-6)7-4-2-3-5-7;1-5-8-7(6-3-4-6)9-10(5)13(2,11)12;1-5-8-6(10-9-5)7(2,3)4;1-5-8-6(9-10-5)7(2,3)4;1-5-8-6(10-9-5)7(2,3)4;1-4-7-6(9-8-4)5-2-3-5;2*1-4-7-6(8-9-4)5-2-3-5;1-4-7-6(9-8-4)5-2-3-5;1-4-3-6-7-5(4)2;1-4-3-7-5(2)6-4;1-4-3-6-7-5(4)2;1-4-3-7-5(2)6-4;1-4-3-6-5(2)7-4;1-2-8-3(10-9-2)4(5,6)7;1-2-6-4(3(5)9)8-7-2;1-4-5-3-7(2)6-4;1-3-5-4(2)7-6-3;1-2-5-3(4(7)8)6-9-2;1-3-5-6-4(2)7-3;2*1-3-5-4(2)7-6-3/h2-6H,1H3;1-4H3,(H,10,12);7H,2-5H2,1H3,(H,9,10,11);6H,3-4H2,1-2H3;1-4H3,(H,8,9,10);2*1-4H3;5H,2-3H2,1H3,(H,7,8,9);3*5H,2-3H2,1H3;3H,1-2H3,(H,6,7);4*3H,1-2H3;1H3,(H,8,9,10);1H3,(H2,5,9)(H,6,7,8);3H,1-2H3;1-2H3,(H,5,6,7);1H3,(H,7,8);3*1-2H3
InChIKeyQUZKMCQZRPWNSH-UHFFFAOYSA-N
MW3021.60 g/mol
LogP24.67
Rot. Bonds11

About 3-tert-butyl-5-methyl-1,2,4-oxadiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;N-tert-butyl-5-methyl-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-5-methyl-1H-1,2,4-triazole;3-cyclopentyl-5-methyl-1H-1,2,4-triazole;3-cyclopropyl-5-methyl-1-methylsulfonyl-1,2,4-triazole;bis(3-cyclopropyl-5-methyl-1,2,4-oxadiazole);5-cyclopropyl-3-methyl-1,2,4-oxadiazole;3-cyclopropyl-5-methyl-1H-1,2,4-triazole;2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1H-pyrazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;3,5-dimethyl-1H-1,2,4-triazole;5-methyl-1,2,4-oxadiazole-3-carboxylic acid;5-methyl-3-phenyl-1,2,4-oxadiazole;5-methyl-1H-1,2,4-triazole-3-carboxamide;5-methyl-3-(trifluoromethyl)-1H-1,2,4-triazole

3-tert-butyl-5-methyl-1,2,4-oxadiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;N-tert-butyl-5-methyl-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-5-methyl-1H-1,2,4-triazole;3-cyclopentyl-5-methyl-1H-1,2,4-triazole;3-cyclopropyl-5-methyl-1-methylsulfonyl-1,2,4-triazole;bis(3-cyclopropyl-5-methyl-1,2,4-oxadiazole);5-cyclopropyl-3-methyl-1,2,4-oxadiazole;3-cyclopropyl-5-methyl-1H-1,2,4-triazole;2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1H-pyrazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;3,5-dimethyl-1H-1,2,4-triazole;5-methyl-1,2,4-oxadiazole-3-carboxylic acid;5-methyl-3-phenyl-1,2,4-oxadiazole;5-methyl-1H-1,2,4-triazole-3-carboxamide;5-methyl-3-(trifluoromethyl)-1H-1,2,4-triazole (PubChem CID 160526672) has the molecular formula C134H197F3N54O19S3 and a molecular weight of 3021.60 g/mol. Its IUPAC name is 3-tert-butyl-5-methyl-1,2,4-oxadiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;N-tert-butyl-5-methyl-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-5-methyl-1H-1,2,4-triazole;3-cyclopentyl-5-methyl-1H-1,2,4-triazole;3-cyclopropyl-5-methyl-1-methylsulfonyl-1,2,4-triazole;bis(3-cyclopropyl-5-methyl-1,2,4-oxadiazole);5-cyclopropyl-3-methyl-1,2,4-oxadiazole;3-cyclopropyl-5-methyl-1H-1,2,4-triazole;2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1H-pyrazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;3,5-dimethyl-1H-1,2,4-triazole;5-methyl-1,2,4-oxadiazole-3-carboxylic acid;5-methyl-3-phenyl-1,2,4-oxadiazole;5-methyl-1H-1,2,4-triazole-3-carboxamide;5-methyl-3-(trifluoromethyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-tert-butyl-5-methyl-1,2,4-oxadiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;N-tert-butyl-5-methyl-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-5-methyl-1H-1,2,4-triazole;3-cyclopentyl-5-methyl-1H-1,2,4-triazole;3-cyclopropyl-5-methyl-1-methylsulfonyl-1,2,4-triazole;bis(3-cyclopropyl-5-methyl-1,2,4-oxadiazole);5-cyclopropyl-3-methyl-1,2,4-oxadiazole;3-cyclopropyl-5-methyl-1H-1,2,4-triazole;2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1H-pyrazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;3,5-dimethyl-1H-1,2,4-triazole;5-methyl-1,2,4-oxadiazole-3-carboxylic acid;5-methyl-3-phenyl-1,2,4-oxadiazole;5-methyl-1H-1,2,4-triazole-3-carboxamide;5-methyl-3-(trifluoromethyl)-1H-1,2,4-triazole
PubChem CID160526672
Molecular FormulaC134H197F3N54O19S3
Molecular Weight3021.60 g/mol
Exact Mass3019.52
IUPAC Name3-tert-butyl-5-methyl-1,2,4-oxadiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;N-tert-butyl-5-methyl-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-5-methyl-1H-1,2,4-triazole;3-cyclopentyl-5-methyl-1H-1,2,4-triazole;3-cyclopropyl-5-methyl-1-methylsulfonyl-1,2,4-triazole;bis(3-cyclopropyl-5-methyl-1,2,4-oxadiazole);5-cyclopropyl-3-methyl-1,2,4-oxadiazole;3-cyclopropyl-5-methyl-1H-1,2,4-triazole;2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1H-pyrazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;3,5-dimethyl-1H-1,2,4-triazole;5-methyl-1,2,4-oxadiazole-3-carboxylic acid;5-methyl-3-phenyl-1,2,4-oxadiazole;5-methyl-1H-1,2,4-triazole-3-carboxamide;5-methyl-3-(trifluoromethyl)-1H-1,2,4-triazole
SMILESCc1cn[nH]c1C.Cc1cnc(C)s1.Cc1cnoc1C.Cc1coc(C)n1.Cc1csc(C)n1.Cc1n[nH]c(C)n1.Cc1nc(-c2ccccc2)no1.Cc1nc(C(=O)NC(C)(C)C)no1.Cc1nc(C(=O)O)no1.Cc1nc(C(C)(C)C)n[nH]1.Cc1nc(C(C)(C)C)no1.Cc1nc(C(F)(F)F)n[nH]1.Cc1nc(C(N)=O)n[nH]1.Cc1nc(C2CC2)n[nH]1.Cc1nc(C2CC2)nn1S(C)(=O)=O.Cc1nc(C2CC2)no1.Cc1nc(C2CC2)no1.Cc1nc(C2CCCC2)n[nH]1.Cc1ncn(C)n1.Cc1nnc(C)o1.Cc1noc(C(C)(C)C)n1.Cc1noc(C)n1.Cc1noc(C)n1.Cc1noc(C2CC2)n1
InChIInChI=1S/C9H8N2O.C8H13N3O2.C8H13N3.C7H11N3O2S.C7H13N3.2C7H12N2O.C6H9N3.3C6H8N2O.C5H8N2.2C5H7NO.2C5H7NS.C4H4F3N3.C4H6N4O.2C4H7N3.C4H4N2O3.3C4H6N2O/c1-7-10-9(11-12-7)8-5-3-2-4-6-8;1-5-9-6(11-13-5)7(12)10-8(2,3)4;1-6-9-8(11-10-6)7-4-2-3-5-7;1-5-8-7(6-3-4-6)9-10(5)13(2,11)12;1-5-8-6(10-9-5)7(2,3)4;1-5-8-6(9-10-5)7(2,3)4;1-5-8-6(10-9-5)7(2,3)4;1-4-7-6(9-8-4)5-2-3-5;2*1-4-7-6(8-9-4)5-2-3-5;1-4-7-6(9-8-4)5-2-3-5;1-4-3-6-7-5(4)2;1-4-3-7-5(2)6-4;1-4-3-6-7-5(4)2;1-4-3-7-5(2)6-4;1-4-3-6-5(2)7-4;1-2-8-3(10-9-2)4(5,6)7;1-2-6-4(3(5)9)8-7-2;1-4-5-3-7(2)6-4;1-3-5-4(2)7-6-3;1-2-5-3(4(7)8)6-9-2;1-3-5-6-4(2)7-3;2*1-3-5-4(2)7-6-3/h2-6H,1H3;1-4H3,(H,10,12);7H,2-5H2,1H3,(H,9,10,11);6H,3-4H2,1-2H3;1-4H3,(H,8,9,10);2*1-4H3;5H,2-3H2,1H3,(H,7,8,9);3*5H,2-3H2,1H3;3H,1-2H3,(H,6,7);4*3H,1-2H3;1H3,(H,8,9,10);1H3,(H2,5,9)(H,6,7,8);3H,1-2H3;1-2H3,(H,5,6,7);1H3,(H,7,8);3*1-2H3
InChIKeyQUZKMCQZRPWNSH-UHFFFAOYSA-N
XLogP24.67
TPSA989.11 Ų
H-Bond Donors10
H-Bond Acceptors65
Rotatable Bonds11
Heavy Atoms213
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003021.60
LogP ≤ 524.67
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1065

Analyze 3-tert-butyl-5-methyl-1,2,4-oxadiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;N-tert-butyl-5-methyl-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-5-methyl-1H-1,2,4-triazole;3-cyclopentyl-5-methyl-1H-1,2,4-triazole;3-cyclopropyl-5-methyl-1-methylsulfonyl-1,2,4-triazole;bis(3-cyclopropyl-5-methyl-1,2,4-oxadiazole);5-cyclopropyl-3-methyl-1,2,4-oxadiazole;3-cyclopropyl-5-methyl-1H-1,2,4-triazole;2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1H-pyrazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;3,5-dimethyl-1H-1,2,4-triazole;5-methyl-1,2,4-oxadiazole-3-carboxylic acid;5-methyl-3-phenyl-1,2,4-oxadiazole;5-methyl-1H-1,2,4-triazole-3-carboxamide;5-methyl-3-(trifluoromethyl)-1H-1,2,4-triazole with MolForge

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Launch Full Analysis

Related Compounds

CID 157869409
CID 157869409
3-tert-butyl-5-methyl-1,2,4-oxadiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;N-tert-butyl-5-methyl-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-5-methyl-1H-1,2,4-triazole;3-cyclopropyl-5-methyl-1,2,4-oxadiazole;5-cyclopropyl-3-methyl-1,2,4-oxadiazole;3-cyclopropyl-5-methyl-1H-1,2,4-triazole;2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1H-pyrazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;3,5-dimethyl-1H-1,2,4-triazole;5-methyl-1,2,4-oxadiazole-3-carboxylic acid;5-methyl-3-phenyl-1,2,4-oxadiazole;5-methyl-3-(trifluoromethyl)-1H-1,2,4-triazole
CID 160568368
3-tert-butyl-5-methyl-1,2,4-oxadiazole;N-tert-butyl-5-methyl-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-5-methyl-1H-1,2,4-triazole;3-cyclopropyl-5-methyl-1,2,4-oxadiazole;3-cyclopropyl-5-methyl-1H-1,2,4-triazole;2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1H-pyrazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;3,5-dimethyl-1H-1,2,4-triazole;5-methyl-1,2,4-oxadiazole-3-carboxylic acid;5-methyl-3-phenyl-1,2,4-oxadiazole;5-methyl-3-(trifluoromethyl)-1H-1,2,4-triazole
CID 162055974
2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole
CID 157078364

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-methyl-1,2,4-oxadiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;N-tert-butyl-5-methyl-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-5-methyl-1H-1,2,4-triazole;3-cyclopentyl-5-methyl-1H-1,2,4-triazole;3-cyclopropyl-5-methyl-1-methylsulfonyl-1,2,4-triazole;bis(3-cyclopropyl-5-methyl-1,2,4-oxadiazole);5-cyclopropyl-3-methyl-1,2,4-oxadiazole;3-cyclopropyl-5-methyl-1H-1,2,4-triazole;2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1H-pyrazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;3,5-dimethyl-1H-1,2,4-triazole;5-methyl-1,2,4-oxadiazole-3-carboxylic acid;5-methyl-3-phenyl-1,2,4-oxadiazole;5-methyl-1H-1,2,4-triazole-3-carboxamide;5-methyl-3-(trifluoromethyl)-1H-1,2,4-triazole?
The IUPAC name of 3-tert-butyl-5-methyl-1,2,4-oxadiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;N-tert-butyl-5-methyl-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-5-methyl-1H-1,2,4-triazole;3-cyclopentyl-5-methyl-1H-1,2,4-triazole;3-cyclopropyl-5-methyl-1-methylsulfonyl-1,2,4-triazole;bis(3-cyclopropyl-5-methyl-1,2,4-oxadiazole);5-cyclopropyl-3-methyl-1,2,4-oxadiazole;3-cyclopropyl-5-methyl-1H-1,2,4-triazole;2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1H-pyrazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;3,5-dimethyl-1H-1,2,4-triazole;5-methyl-1,2,4-oxadiazole-3-carboxylic acid;5-methyl-3-phenyl-1,2,4-oxadiazole;5-methyl-1H-1,2,4-triazole-3-carboxamide;5-methyl-3-(trifluoromethyl)-1H-1,2,4-triazole (CID 160526672) is 3-tert-butyl-5-methyl-1,2,4-oxadiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;N-tert-butyl-5-methyl-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-5-methyl-1H-1,2,4-triazole;3-cyclopentyl-5-methyl-1H-1,2,4-triazole;3-cyclopropyl-5-methyl-1-methylsulfonyl-1,2,4-triazole;bis(3-cyclopropyl-5-methyl-1,2,4-oxadiazole);5-cyclopropyl-3-methyl-1,2,4-oxadiazole;3-cyclopropyl-5-methyl-1H-1,2,4-triazole;2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1H-pyrazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;3,5-dimethyl-1H-1,2,4-triazole;5-methyl-1,2,4-oxadiazole-3-carboxylic acid;5-methyl-3-phenyl-1,2,4-oxadiazole;5-methyl-1H-1,2,4-triazole-3-carboxamide;5-methyl-3-(trifluoromethyl)-1H-1,2,4-triazole.
What is the SMILES notation for 3-tert-butyl-5-methyl-1,2,4-oxadiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;N-tert-butyl-5-methyl-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-5-methyl-1H-1,2,4-triazole;3-cyclopentyl-5-methyl-1H-1,2,4-triazole;3-cyclopropyl-5-methyl-1-methylsulfonyl-1,2,4-triazole;bis(3-cyclopropyl-5-methyl-1,2,4-oxadiazole);5-cyclopropyl-3-methyl-1,2,4-oxadiazole;3-cyclopropyl-5-methyl-1H-1,2,4-triazole;2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1H-pyrazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;3,5-dimethyl-1H-1,2,4-triazole;5-methyl-1,2,4-oxadiazole-3-carboxylic acid;5-methyl-3-phenyl-1,2,4-oxadiazole;5-methyl-1H-1,2,4-triazole-3-carboxamide;5-methyl-3-(trifluoromethyl)-1H-1,2,4-triazole?
The canonical SMILES for 3-tert-butyl-5-methyl-1,2,4-oxadiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;N-tert-butyl-5-methyl-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-5-methyl-1H-1,2,4-triazole;3-cyclopentyl-5-methyl-1H-1,2,4-triazole;3-cyclopropyl-5-methyl-1-methylsulfonyl-1,2,4-triazole;bis(3-cyclopropyl-5-methyl-1,2,4-oxadiazole);5-cyclopropyl-3-methyl-1,2,4-oxadiazole;3-cyclopropyl-5-methyl-1H-1,2,4-triazole;2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1H-pyrazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;3,5-dimethyl-1H-1,2,4-triazole;5-methyl-1,2,4-oxadiazole-3-carboxylic acid;5-methyl-3-phenyl-1,2,4-oxadiazole;5-methyl-1H-1,2,4-triazole-3-carboxamide;5-methyl-3-(trifluoromethyl)-1H-1,2,4-triazole is Cc1cn[nH]c1C.Cc1cnc(C)s1.Cc1cnoc1C.Cc1coc(C)n1.Cc1csc(C)n1.Cc1n[nH]c(C)n1.Cc1nc(-c2ccccc2)no1.Cc1nc(C(=O)NC(C)(C)C)no1.Cc1nc(C(=O)O)no1.Cc1nc(C(C)(C)C)n[nH]1.Cc1nc(C(C)(C)C)no1.Cc1nc(C(F)(F)F)n[nH]1.Cc1nc(C(N)=O)n[nH]1.Cc1nc(C2CC2)n[nH]1.Cc1nc(C2CC2)nn1S(C)(=O)=O.Cc1nc(C2CC2)no1.Cc1nc(C2CC2)no1.Cc1nc(C2CCCC2)n[nH]1.Cc1ncn(C)n1.Cc1nnc(C)o1.Cc1noc(C(C)(C)C)n1.Cc1noc(C)n1.Cc1noc(C)n1.Cc1noc(C2CC2)n1.
What is the InChIKey of 3-tert-butyl-5-methyl-1,2,4-oxadiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;N-tert-butyl-5-methyl-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-5-methyl-1H-1,2,4-triazole;3-cyclopentyl-5-methyl-1H-1,2,4-triazole;3-cyclopropyl-5-methyl-1-methylsulfonyl-1,2,4-triazole;bis(3-cyclopropyl-5-methyl-1,2,4-oxadiazole);5-cyclopropyl-3-methyl-1,2,4-oxadiazole;3-cyclopropyl-5-methyl-1H-1,2,4-triazole;2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1H-pyrazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;3,5-dimethyl-1H-1,2,4-triazole;5-methyl-1,2,4-oxadiazole-3-carboxylic acid;5-methyl-3-phenyl-1,2,4-oxadiazole;5-methyl-1H-1,2,4-triazole-3-carboxamide;5-methyl-3-(trifluoromethyl)-1H-1,2,4-triazole?
The InChIKey is QUZKMCQZRPWNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O.C8H13N3O2.C8H13N3.C7H11N3O2S.C7H13N3.2C7H12N2O.C6H9N3.3C6H8N2O.C5H8N2.2C5H7NO.2C5H7NS.C4H4F3N3.C4H6N4O.2C4H7N3.C4H4N2O3.3C4H6N2O/c1-7-10-9(11-12-7)8-5-3-2-4-6-8;1-5-9-6(11-13-5)7(12)10-8(2,3)4;1-6-9-8(11-10-6)7-4-2-3-5-7;1-5-8-7(6-3-4-6)9-10(5)13(2,11)12;1-5-8-6(10-9-5)7(2,3)4;1-5-8-6(9-10-5)7(2,3)4;1-5-8-6(10-9-5)7(2,3)4;1-4-7-6(9-8-4)5-2-3-5;2*1-4-7-6(8-9-4)5-2-3-5;1-4-7-6(9-8-4)5-2-3-5;1-4-3-6-7-5(4)2;1-4-3-7-5(2)6-4;1-4-3-6-7-5(4)2;1-4-3-7-5(2)6-4;1-4-3-6-5(2)7-4;1-2-8-3(10-9-2)4(5,6)7;1-2-6-4(3(5)9)8-7-2;1-4-5-3-7(2)6-4;1-3-5-4(2)7-6-3;1-2-5-3(4(7)8)6-9-2;1-3-5-6-4(2)7-3;2*1-3-5-4(2)7-6-3/h2-6H,1H3;1-4H3,(H,10,12);7H,2-5H2,1H3,(H,9,10,11);6H,3-4H2,1-2H3;1-4H3,(H,8,9,10);2*1-4H3;5H,2-3H2,1H3,(H,7,8,9);3*5H,2-3H2,1H3;3H,1-2H3,(H,6,7);4*3H,1-2H3;1H3,(H,8,9,10);1H3,(H2,5,9)(H,6,7,8);3H,1-2H3;1-2H3,(H,5,6,7);1H3,(H,7,8);3*1-2H3.
What are the key properties of 3-tert-butyl-5-methyl-1,2,4-oxadiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;N-tert-butyl-5-methyl-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-5-methyl-1H-1,2,4-triazole;3-cyclopentyl-5-methyl-1H-1,2,4-triazole;3-cyclopropyl-5-methyl-1-methylsulfonyl-1,2,4-triazole;bis(3-cyclopropyl-5-methyl-1,2,4-oxadiazole);5-cyclopropyl-3-methyl-1,2,4-oxadiazole;3-cyclopropyl-5-methyl-1H-1,2,4-triazole;2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1H-pyrazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;3,5-dimethyl-1H-1,2,4-triazole;5-methyl-1,2,4-oxadiazole-3-carboxylic acid;5-methyl-3-phenyl-1,2,4-oxadiazole;5-methyl-1H-1,2,4-triazole-3-carboxamide;5-methyl-3-(trifluoromethyl)-1H-1,2,4-triazole?
3-tert-butyl-5-methyl-1,2,4-oxadiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;N-tert-butyl-5-methyl-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-5-methyl-1H-1,2,4-triazole;3-cyclopentyl-5-methyl-1H-1,2,4-triazole;3-cyclopropyl-5-methyl-1-methylsulfonyl-1,2,4-triazole;bis(3-cyclopropyl-5-methyl-1,2,4-oxadiazole);5-cyclopropyl-3-methyl-1,2,4-oxadiazole;3-cyclopropyl-5-methyl-1H-1,2,4-triazole;2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1H-pyrazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;3,5-dimethyl-1H-1,2,4-triazole;5-methyl-1,2,4-oxadiazole-3-carboxylic acid;5-methyl-3-phenyl-1,2,4-oxadiazole;5-methyl-1H-1,2,4-triazole-3-carboxamide;5-methyl-3-(trifluoromethyl)-1H-1,2,4-triazole has a molecular weight of 3021.60 g/mol, XLogP of 24.67, 11 rotatable bonds, 10 hydrogen bond donors, and 65 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-methyl-1,2,4-oxadiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;N-tert-butyl-5-methyl-1,2,4-oxadiazole-3-carboxamide;3-tert-butyl-5-methyl-1H-1,2,4-triazole;3-cyclopentyl-5-methyl-1H-1,2,4-triazole;3-cyclopropyl-5-methyl-1-methylsulfonyl-1,2,4-triazole;bis(3-cyclopropyl-5-methyl-1,2,4-oxadiazole);5-cyclopropyl-3-methyl-1,2,4-oxadiazole;3-cyclopropyl-5-methyl-1H-1,2,4-triazole;2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1H-pyrazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;3,5-dimethyl-1H-1,2,4-triazole;5-methyl-1,2,4-oxadiazole-3-carboxylic acid;5-methyl-3-phenyl-1,2,4-oxadiazole;5-methyl-1H-1,2,4-triazole-3-carboxamide;5-methyl-3-(trifluoromethyl)-1H-1,2,4-triazole is sourced from PubChem (CID 160526672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).