2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-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;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;bis(5-propan-2-yl-2H-tetrazole);2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-1,2,4-triazole

C141H216N42O8S — CID 159724317

IUPAC2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-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;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;bis(5-propan-2-yl-2H-tetrazole);2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-1,2,4-triazole
SMILESCC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1ccn[nH]1.CC(C)c1ccn[nH]1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccnnc1.CC(C)c1ccno1.CC(C)c1ccon1.CC(C)c1cn[nH]c1.CC(C)c1cnccn1.CC(C)c1cnco1.CC(C)c1cocn1.CC(C)c1ncccn1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1ncn[nH]1.CC(C)c1ncno1.CC(C)c1ncon1.CC(C)c1nn[nH]n1.CC(C)c1nn[nH]n1.CC(C)c1nnco1
InChIInChI=1S/3C8H11N.5C7H10N2.3C6H10N2.5C6H9NO.C6H9NS.C5H9N3.3C5H8N2O.2C4H8N4/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;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-3-4-8-9-5-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;1-5(2)6-3-7-8-4-6;2*1-5(2)6-3-4-7-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;1-5(2)6-7-3-4-8-6;1-4(2)5-6-3-7-8-5;1-4(2)5-7-6-3-8-5;1-4(2)5-6-3-8-7-5;1-4(2)5-6-3-7-8-5;2*1-3(2)4-5-7-8-6-4/h3*3-7H,1-2H3;5*3-6H,1-2H3;3*3-5H,1-2H3,(H,7,8);6*3-5H,1-2H3;3-4H,1-2H3,(H,6,7,8);3*3-4H,1-2H3;2*3H,1-2H3,(H,5,6,7,8)
InChIKeyNALAPURFOPFAIX-UHFFFAOYSA-N
MW2659.63 g/mol
LogP35.62
Rot. Bonds23

About 2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-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;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;bis(5-propan-2-yl-2H-tetrazole);2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-1,2,4-triazole

2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-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;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;bis(5-propan-2-yl-2H-tetrazole);2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-1,2,4-triazole (PubChem CID 159724317) has the molecular formula C141H216N42O8S and a molecular weight of 2659.63 g/mol. Its IUPAC name is 2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-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;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;bis(5-propan-2-yl-2H-tetrazole);2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-1,2,4-triazole.

Molecular Properties

Compound Name2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-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;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;bis(5-propan-2-yl-2H-tetrazole);2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-1,2,4-triazole
PubChem CID159724317
Molecular FormulaC141H216N42O8S
Molecular Weight2659.63 g/mol
Exact Mass2657.75
IUPAC Name2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-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;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;bis(5-propan-2-yl-2H-tetrazole);2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-1,2,4-triazole
SMILESCC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1ccn[nH]1.CC(C)c1ccn[nH]1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccnnc1.CC(C)c1ccno1.CC(C)c1ccon1.CC(C)c1cn[nH]c1.CC(C)c1cnccn1.CC(C)c1cnco1.CC(C)c1cocn1.CC(C)c1ncccn1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1ncn[nH]1.CC(C)c1ncno1.CC(C)c1ncon1.CC(C)c1nn[nH]n1.CC(C)c1nn[nH]n1.CC(C)c1nnco1
InChIInChI=1S/3C8H11N.5C7H10N2.3C6H10N2.5C6H9NO.C6H9NS.C5H9N3.3C5H8N2O.2C4H8N4/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;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-3-4-8-9-5-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;1-5(2)6-3-7-8-4-6;2*1-5(2)6-3-4-7-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;1-5(2)6-7-3-4-8-6;1-4(2)5-6-3-7-8-5;1-4(2)5-7-6-3-8-5;1-4(2)5-6-3-8-7-5;1-4(2)5-6-3-7-8-5;2*1-3(2)4-5-7-8-6-4/h3*3-7H,1-2H3;5*3-6H,1-2H3;3*3-5H,1-2H3,(H,7,8);6*3-5H,1-2H3;3-4H,1-2H3,(H,6,7,8);3*3-4H,1-2H3;2*3H,1-2H3,(H,5,6,7,8)
InChIKeyNALAPURFOPFAIX-UHFFFAOYSA-N
XLogP35.62
TPSA663.90 Ų
H-Bond Donors6
H-Bond Acceptors45
Rotatable Bonds23
Heavy Atoms192
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002659.63
LogP ≤ 535.62
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1045

Analyze 2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-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;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;bis(5-propan-2-yl-2H-tetrazole);2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-1,2,4-triazole with MolForge

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Launch Full Analysis

Related Compounds

CID 157181702
CID 157181702
CID 157298273
CID 157298273
N-(1-cyclopropylethyl)-2-methylpropan-1-amine;2,3-dimethylbutan-2-ol;2,2-dimethyl-N-[2-(2-methylpropylamino)ethyl]propanamide;2,2-dimethyl-N-(2-methylpropyl)propan-1-amine;2-methyl-N-[2-(4-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine;2-methyl-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]propan-1-amine;2-methyl-N-[(3-methyloxetan-3-yl)methyl]propan-1-amine;2-methyl-2-(2-methylpropylamino)propan-1-ol;2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine;2-(2-methylpropylamino)-1-pyridin-2-ylethanone;N-(2-methylpropyl)oxan-4-amine;2-methyl-N-(2-pyrazin-2-ylethyl)propan-1-amine;2-methyl-N-(2-pyridazin-3-ylethyl)propan-1-amine;2-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine;2-methyl-N-(2-pyrimidin-4-ylethyl)propan-1-amine;2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]propan-1-amine;2,2,2-trifluoro-N-[2-(2-methylpropylamino)ethyl]acetamide
CID 157544264
2-cyclopropyl-4-propan-2-ylpyrimidine;1-methyl-4-propan-2-ylimidazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;(1-methyl-3-propan-2-ylpyrazol-5-yl)-morpholin-4-ylmethanone;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;5-(oxetan-3-yl)-3-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;3-propan-2-yl-6-(trifluoromethyl)pyridazine
CID 157582125
2-chloro-3-propan-2-ylpyridine;2-chloro-4-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,5-dimethyl-3-propan-2-yl-2H-pyrrole;5-methyl-3-propan-2-yl-1,2-oxazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-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;2-propan-2-ylpyrazine;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine
CID 158019428
CID 158046770
CID 158046770
1-Benzyl-4-propan-2-ylpyrazole;5-tert-butyl-2-methyl-1,3-oxazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;1-(2,2-difluoropropyl)-4-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yltriazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;1-ethyl-4-propan-2-yltriazole;2-fluoro-4-propan-2-ylpyridine;4-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-4-propan-2-yltriazole;3-methyl-1-propan-2-yl-1,2,4-triazole;1-propan-2-ylpyrazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole
CID 158159608
cumene;2-cyclopropyl-5-propan-2-ylpyridine;1,2-dimethyl-5-propan-2-ylimidazole;N,N-dimethyl-5-propan-2-ylpyrimidin-2-amine;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)pyridine;1-hydroxy-3-propan-2-ylpyridin-1-ium;methane;2-methyl-5-propan-2-yl-1H-imidazole;pentakis(2-methyl-5-propan-2-ylpyridine);1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;4-propan-2-yloxadiazole;5-propan-2-yloxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxylic acid;4-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-2-(trifluoromethyl)pyridine)
CID 158218996
5-Tert-butyl-3-cyclopropyl-1,2,4-oxadiazole;3-tert-butyl-1,2-dimethylpyrrole;bis(5-tert-butyl-3-ethyl-1,2-oxazole);4-tert-butyl-1-ethyltriazole;4-tert-butyl-2-ethyltriazole;5-tert-butyl-3-(1-fluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-5-methyl-1,3,4-oxadiazole;2-tert-butyl-4-methyl-1,3-oxazole;4-tert-butyl-2-methylpyridine;1-tert-butyl-3-methyl-1,2,4-triazole;2-[(4-tert-butylpyrazol-1-yl)methyl]pyridine;bis(3-(2,2-difluoropropyl)-5-propan-2-yl-1,2-oxazole);3,5-dimethyl-1-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;4-methyl-2-propan-2-ylthiophene
CID 159318111
CID 159328819
CID 159328819
CID 159495845
CID 159495845
2-cyclopropyl-4-propan-2-ylpyrimidine;1-methyl-4-propan-2-ylimidazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;morpholin-4-yl-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;5-(oxetan-3-yl)-3-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;3-propan-2-yl-6-(trifluoromethyl)pyridazine
CID 159625484

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-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;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;bis(5-propan-2-yl-2H-tetrazole);2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-1,2,4-triazole?
The IUPAC name of 2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-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;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;bis(5-propan-2-yl-2H-tetrazole);2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-1,2,4-triazole (CID 159724317) is 2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-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;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;bis(5-propan-2-yl-2H-tetrazole);2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-1,2,4-triazole.
What is the SMILES notation for 2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-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;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;bis(5-propan-2-yl-2H-tetrazole);2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-1,2,4-triazole?
The canonical SMILES for 2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-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;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;bis(5-propan-2-yl-2H-tetrazole);2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-1,2,4-triazole is CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1ccn[nH]1.CC(C)c1ccn[nH]1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccnnc1.CC(C)c1ccno1.CC(C)c1ccon1.CC(C)c1cn[nH]c1.CC(C)c1cnccn1.CC(C)c1cnco1.CC(C)c1cocn1.CC(C)c1ncccn1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1ncn[nH]1.CC(C)c1ncno1.CC(C)c1ncon1.CC(C)c1nn[nH]n1.CC(C)c1nn[nH]n1.CC(C)c1nnco1.
What is the InChIKey of 2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-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;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;bis(5-propan-2-yl-2H-tetrazole);2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-1,2,4-triazole?
The InChIKey is NALAPURFOPFAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H11N.5C7H10N2.3C6H10N2.5C6H9NO.C6H9NS.C5H9N3.3C5H8N2O.2C4H8N4/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;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-3-4-8-9-5-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;1-5(2)6-3-7-8-4-6;2*1-5(2)6-3-4-7-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-4-7-8-6;1-5(2)6-7-3-4-8-6;1-4(2)5-6-3-7-8-5;1-4(2)5-7-6-3-8-5;1-4(2)5-6-3-8-7-5;1-4(2)5-6-3-7-8-5;2*1-3(2)4-5-7-8-6-4/h3*3-7H,1-2H3;5*3-6H,1-2H3;3*3-5H,1-2H3,(H,7,8);6*3-5H,1-2H3;3-4H,1-2H3,(H,6,7,8);3*3-4H,1-2H3;2*3H,1-2H3,(H,5,6,7,8).
What are the key properties of 2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-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;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;bis(5-propan-2-yl-2H-tetrazole);2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-1,2,4-triazole?
2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-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;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;bis(5-propan-2-yl-2H-tetrazole);2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-1,2,4-triazole has a molecular weight of 2659.63 g/mol, XLogP of 35.62, 23 rotatable bonds, 6 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-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;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;bis(5-propan-2-yl-2H-tetrazole);2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1H-1,2,4-triazole is sourced from PubChem (CID 159724317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).