2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine

C79H128N14O6 — CID 159598726

IUPAC2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine
SMILESCC(C)C1CCCOC1.CC(C)C1CCOCC1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1cnn(C)c1.CC(C)c1ncccn1.Cc1cc(C(C)C)no1.Cc1nc(C(C)C)no1.Cc1nnc(C(C)C)o1.Cc1noc(C(C)C)n1
InChIInChI=1S/3C8H11N.2C8H16O.C7H12N2.C7H10N2.C7H11NO.3C6H10N2O/c1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-6(2)7-4-8-9(3)5-7;1-6(2)7-8-4-3-5-9-7;1-5(2)7-4-6(3)9-8-7;1-4(2)6-8-7-5(3)9-6;1-4(2)6-7-5(3)9-8-6;1-4(2)6-7-5(3)8-9-6/h3*3-7H,1-2H3;2*7-8H,3-6H2,1-2H3;4-6H,1-3H3;3-6H,1-2H3;4-5H,1-3H3;3*4H,1-3H3
InChIKeyMLELXNFRCXNFRL-UHFFFAOYSA-N
MW1369.98 g/mol
LogP20.51
Rot. Bonds11

About 2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine

2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine (PubChem CID 159598726) has the molecular formula C79H128N14O6 and a molecular weight of 1369.98 g/mol. Its IUPAC name is 2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine
PubChem CID159598726
Molecular FormulaC79H128N14O6
Molecular Weight1369.98 g/mol
Exact Mass1369.01
IUPAC Name2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine
SMILESCC(C)C1CCCOC1.CC(C)C1CCOCC1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1cnn(C)c1.CC(C)c1ncccn1.Cc1cc(C(C)C)no1.Cc1nc(C(C)C)no1.Cc1nnc(C(C)C)o1.Cc1noc(C(C)C)n1
InChIInChI=1S/3C8H11N.2C8H16O.C7H12N2.C7H10N2.C7H11NO.3C6H10N2O/c1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-6(2)7-4-8-9(3)5-7;1-6(2)7-8-4-3-5-9-7;1-5(2)7-4-6(3)9-8-7;1-4(2)6-8-7-5(3)9-6;1-4(2)6-7-5(3)9-8-6;1-4(2)6-7-5(3)8-9-6/h3*3-7H,1-2H3;2*7-8H,3-6H2,1-2H3;4-6H,1-3H3;3-6H,1-2H3;4-5H,1-3H3;3*4H,1-3H3
InChIKeyMLELXNFRCXNFRL-UHFFFAOYSA-N
XLogP20.51
TPSA243.52 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds11
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001369.98
LogP ≤ 520.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine with MolForge

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Related Compounds

2-[4-(3,6-dihydro-2H-pyran-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;bis(2-[4-(2-methylpyrimidin-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide);bis(2-[4-(6-methylpyrimidin-4-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide);N-(5-pyrazin-2-yl-2-pyridinyl)-2-(4-pyrimidin-4-ylpyrazol-1-yl)acetamide
CID 157318676
2,4-Di(propan-2-yl)cyclohexa-2,4-dien-1-one;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1,2-oxazole;2,4-di(propan-2-yl)pyridine;4,6-di(propan-2-yl)pyrimidine
CID 157855867
Cumene;ethane;3-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2,5-oxadiazole;4-propan-2-yloxadiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine
CID 158635242
4-Cyclopropyl-2-(3,3-dimethylbutoxy)pyrimidine;2-(3,3-dimethylbutoxy)pyrimidine;1-(3,3-dimethylbutyl)-3,5-dimethylpyrazole;1-(3,3-dimethylbutyl)-3-methylpyrazole;1-(3,3-dimethylbutyl)-4-methylpyrazole;1-(3,3-dimethylbutyl)-5-methylpyrazole;1-(3,3-dimethylbutyl)pyrazole;3-[1-(3,3-dimethylbutyl)pyrazol-4-yl]pyridine;4-(3,3-dimethylbutyl)pyrimidine;1-(3,3-dimethylbutyl)pyrrole;1-(3,3-dimethylbutyl)-1,2,4-triazole;1-(4,4-dimethylpentan-2-yl)pyrazole;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;2-(2,2-dimethylpropyl)-5-methylpyrimidine;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;methane
CID 158780566
3,5-Dimethyl-1,2-oxazole;1,5-dimethylpyrazole;methane;methylcyclopropane;3-methylpyridine;bis(4-methylpyridine);2-methylpyrimidine;toluene;1,3,5-trimethylpyrazole
CID 159002451
2,5-Dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2-oxazole;1,4-dimethylpyrazole;2,4-dimethylpyridine;3,5-dimethylpyridine;bis(2,4-dimethylpyrimidine);4,6-dimethylpyrimidine;2,5-dimethyl-1,3-thiazole;1,4-dimethyltriazole;1,3-xylene
CID 159069939
3-(2,2-dimethylpropyl)-4,5-dimethyl-1,2,4-triazole;2-(2,2-dimethylpropyl)-5-methyl-4H-imidazole;3-(2,2-dimethylpropyl)-4-methyl-1,2,5-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-2-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;4-(2,2-dimethylpropyl)-1-methyltriazole;2-(2,2-dimethylpropyl)pyrazine;3-(2,2-dimethylpropyl)-4H-pyrazole;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-3H-pyrrole;4-(2,2-dimethylpropyl)-2H-pyrrole;5-(2,2-dimethylpropyl)-2H-pyrrole;5-(2,2-dimethylpropyl)-3H-pyrrole;ethane;methane
CID 159096169
Cumene;ethane;methane;3-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxadiazole;4-propan-2-yl-1,2,3,5-oxatriazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;4-propan-2-ylpyridazine;4-propan-2-ylpyridine;4-propan-2-yl-1,2,3,5-tetrazine;5-propan-2-yltriazine;5-propan-2-yl-1,2,4-triazine
CID 159143693
3-(2,2-dimethylpropyl)-4,5-dimethyl-1,2,4-triazole;2-(2,2-dimethylpropyl)-5-methyl-4H-imidazole;4-(2,2-dimethylpropyl)-5-methyl-2H-imidazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-2-methyl-1,3-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;4-(2,2-dimethylpropyl)-1-methyltriazole;2-(2,2-dimethylpropyl)pyrazine;3-(2,2-dimethylpropyl)-4H-pyrazole;3-(2,2-dimethylpropyl)pyridazine;2-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyrimidine;5-(2,2-dimethylpropyl)pyrimidine;2-(2,2-dimethylpropyl)-3H-pyrrole;4-(2,2-dimethylpropyl)-2H-pyrrole;5-(2,2-dimethylpropyl)-2H-pyrrole;5-(2,2-dimethylpropyl)-3H-pyrrole;ethane;methane
CID 159239091
4-Cyclopropyl-2-(3,3-dimethylbutoxy)pyrimidine;2-(3,3-dimethylbutoxy)pyrimidine;1-(3,3-dimethylbutyl)-3,5-dimethylpyrazole;1-(3,3-dimethylbutyl)-3-methylpyrazole;1-(3,3-dimethylbutyl)-4-methylpyrazole;1-(3,3-dimethylbutyl)-5-methylpyrazole;1-(3,3-dimethylbutyl)pyrazole;3-[1-(3,3-dimethylbutyl)pyrazol-4-yl]pyridine;4-(3,3-dimethylbutyl)pyrimidine;1-(3,3-dimethylbutyl)pyrrole;1-(3,3-dimethylbutyl)-1,2,4-triazole;1-(4,4-dimethylpentan-2-yl)pyrazole;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;2-(2,2-dimethylpropyl)-5-methylpyrimidine;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole
CID 159292105
3-Benzyl-5-(2,2-dimethylpropyl)-1,2,4-oxadiazole;5-cyclopropyl-3-[2-(3,3-dimethylbutoxy)pyrimidin-4-yl]-1,2,4-oxadiazole;5-cyclopropyl-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole;2-(3,3-dimethylbutoxy)-5-ethynylpyrimidine;2-[[1-(2,2-dimethylpropyl)cyclopropyl]methoxy]pyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;5-(2,2-dimethylpropyl)-3-phenyl-1,2-oxazole;2-(2,2,4,4-tetramethylpentoxy)pyrimidine
CID 159328550
4-(Cyclopropylmethoxy)-2-(2,2-dimethylpropyl)pyrimidine;1-(3,3-dimethylbutyl)-3,5-dimethylpyrazole;1-(3,3-dimethylbutyl)-3-methylpyrazole;1-(3,3-dimethylbutyl)-4-methylpyrazole;1-(3,3-dimethylbutyl)-5-methylpyrazole;bis(1-(3,3-dimethylbutyl)pyrazole);3-[1-(3,3-dimethylbutyl)pyrazol-4-yl]pyridine;2-(3,3-dimethylbutyl)pyridine;1-(3,3-dimethylbutyl)pyrrole;1-(4,4-dimethylpentan-2-yl)pyrazole;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;2-(2,2-dimethylpropyl)-5-methylpyrimidine;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole
CID 159354831

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine?
The IUPAC name of 2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine (CID 159598726) is 2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine.
What is the SMILES notation for 2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine?
The canonical SMILES for 2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine is CC(C)C1CCCOC1.CC(C)C1CCOCC1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1cnn(C)c1.CC(C)c1ncccn1.Cc1cc(C(C)C)no1.Cc1nc(C(C)C)no1.Cc1nnc(C(C)C)o1.Cc1noc(C(C)C)n1.
What is the InChIKey of 2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine?
The InChIKey is MLELXNFRCXNFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H11N.2C8H16O.C7H12N2.C7H10N2.C7H11NO.3C6H10N2O/c1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-6(2)7-4-8-9(3)5-7;1-6(2)7-8-4-3-5-9-7;1-5(2)7-4-6(3)9-8-7;1-4(2)6-8-7-5(3)9-6;1-4(2)6-7-5(3)9-8-6;1-4(2)6-7-5(3)8-9-6/h3*3-7H,1-2H3;2*7-8H,3-6H2,1-2H3;4-6H,1-3H3;3-6H,1-2H3;4-5H,1-3H3;3*4H,1-3H3.
What are the key properties of 2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine?
2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine has a molecular weight of 1369.98 g/mol, XLogP of 20.51, 11 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;3-propan-2-yloxane;4-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine is sourced from PubChem (CID 159598726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).