3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-yltetrazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole

C70H109N17O4S3 — CID 158938502

IUPAC3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-yltetrazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole
SMILESCC(C)c1ccncc1.CC(C)c1ccon1.CC(C)c1cn(C)cn1.CC(C)c1cncnc1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1cnoc1.CC(C)c1cnsc1.CC(C)c1nncs1.CC(C)c1nnnn1C.Cc1noc(C)c1C(C)C
InChIInChI=1S/C8H13NO.C8H11N.C7H12N2.C7H10N2.3C6H9NO.2C6H9NS.C5H10N4.C5H8N2S/c1-5(2)8-6(3)9-10-7(8)4;1-7(2)8-3-5-9-6-4-8;1-6(2)7-4-9(3)5-8-7;1-6(2)7-3-8-5-9-4-7;1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-4(2)5-6-7-8-9(5)3;1-4(2)5-7-6-3-8-5/h5H,1-4H3;3-7H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;5*3-5H,1-2H3;4H,1-3H3;3-4H,1-2H3
InChIKeyJJYIICDERRWFDZ-UHFFFAOYSA-N
MW1348.96 g/mol
LogP19.69
Rot. Bonds11

About 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-yltetrazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole

3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-yltetrazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole (PubChem CID 158938502) has the molecular formula C70H109N17O4S3 and a molecular weight of 1348.96 g/mol. Its IUPAC name is 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-yltetrazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-yltetrazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole
PubChem CID158938502
Molecular FormulaC70H109N17O4S3
Molecular Weight1348.96 g/mol
Exact Mass1347.80
IUPAC Name3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-yltetrazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole
SMILESCC(C)c1ccncc1.CC(C)c1ccon1.CC(C)c1cn(C)cn1.CC(C)c1cncnc1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1cnoc1.CC(C)c1cnsc1.CC(C)c1nncs1.CC(C)c1nnnn1C.Cc1noc(C)c1C(C)C
InChIInChI=1S/C8H13NO.C8H11N.C7H12N2.C7H10N2.3C6H9NO.2C6H9NS.C5H10N4.C5H8N2S/c1-5(2)8-6(3)9-10-7(8)4;1-7(2)8-3-5-9-6-4-8;1-6(2)7-4-9(3)5-8-7;1-6(2)7-3-8-5-9-4-7;1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-4(2)5-6-7-8-9(5)3;1-4(2)5-7-6-3-8-5/h5H,1-4H3;3-7H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;5*3-5H,1-2H3;4H,1-3H3;3-4H,1-2H3
InChIKeyJJYIICDERRWFDZ-UHFFFAOYSA-N
XLogP19.69
TPSA255.77 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds11
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001348.96
LogP ≤ 519.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-yltetrazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole with MolForge

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Launch Full Analysis

Related Compounds

CID 157298273
CID 157298273
3-Tert-butyl-1-methylpyrazole;3-tert-butyl-1-methylpyrrole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-3-(trifluoromethyl)-1,2-oxazole;3-cyclopropyl-2-methyl-5-propan-2-yl-1,2,4-oxadiazol-2-ium;1,5-dimethyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1,2-oxazole;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;(5-propan-2-yl-1,2-oxazol-3-yl)methanol;1-propan-2-yl-1,2,4-triazole
CID 157545873
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
5-tert-butyl-3-(1,1-difluoroethyl)-1,2-oxazole;bis(3-tert-butyl-1-methylpyrazole);3-tert-butyl-1-methylpyrrole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-3H-pyrazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;3-ethyl-5-propan-2-yl-1,2-oxazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole
CID 158711469
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
1-Benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(2,2-difluoropropyl)-1,2-oxazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-(1-fluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-4-methylthiophene;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;3-ethyl-5-propan-2-yl-1,2-oxazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine
CID 159443558
5-tert-butyl-3-(1,1-difluoroethyl)-1,2-oxazole;bis(3-tert-butyl-1-methylpyrazole);3-tert-butyl-1-methylpyrrole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-3H-pyrazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;3-ethyl-5-propan-2-yl-1,2-oxazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-yl-4H-pyrazol-1-ium;2-methyl-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;2-propan-2-yl-1,3-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
CID 159575313
1,5-Dimethylimidazole;3,4-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethylthiadiazole;2,3-dimethylthiophene;2,4-dimethyl-5-(trifluoromethyl)-1,3-oxazole;1-ethyl-3,5-dimethylpyrazole;methane;4-methyl-2,3-dihydro-1,2-thiazole;5-methyl-1,2-oxazole;4-methylthiadiazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3,4,5-trimethyl-1,2-oxazole;1,3,5-trimethylpyrazole;2,4,5-trimethyl-1,3-thiazole
CID 160647161
5-Tert-butyl-3-cyclopropyl-1,2-oxazole;5-tert-butyl-3-(2,2-difluoropropyl)-1,2,4-oxadiazole;4-tert-butyl-1,5-dimethylpyrazole;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;4-tert-butyl-2-methyltriazole;2-[(4-tert-butylpyrazol-1-yl)methyl]pyridine;3-(2,2-difluoropropyl)-5-propan-2-yl-1,2-oxazole;3,5-dimethyl-1-propan-2-ylpyrazole;1-methyl-4-propan-2-ylimidazole;3-methyl-5-propan-2-yl-1,2-thiazole
CID 160817487
1-Benzyl-4-propan-2-ylpyrazole;4-tert-butyl-1-ethyltriazole;3-cyclopropyl-5-propan-2-yl-1,2-oxazole;1-(2,2-difluoropropyl)-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylpyrazole;1,3-dimethyl-4-propan-2-ylpyrrole;1-fluoro-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylimidazole;4-methyl-1-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;3-methyl-1-propan-2-yl-1,2,4-triazole;bis(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
CID 160818881
1-Benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-4-methylthiophene;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2-oxazole;4-tert-butyl-1-(2,2,2-trifluoroethyl)pyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;3-ethyl-5-propan-2-yl-1,2-oxazole;methane;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine
CID 161268836
CID 161272938
CID 161272938

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-yltetrazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole?
The IUPAC name of 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-yltetrazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole (CID 158938502) is 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-yltetrazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-yltetrazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole?
The canonical SMILES for 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-yltetrazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole is CC(C)c1ccncc1.CC(C)c1ccon1.CC(C)c1cn(C)cn1.CC(C)c1cncnc1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1cnoc1.CC(C)c1cnsc1.CC(C)c1nncs1.CC(C)c1nnnn1C.Cc1noc(C)c1C(C)C.
What is the InChIKey of 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-yltetrazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole?
The InChIKey is JJYIICDERRWFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO.C8H11N.C7H12N2.C7H10N2.3C6H9NO.2C6H9NS.C5H10N4.C5H8N2S/c1-5(2)8-6(3)9-10-7(8)4;1-7(2)8-3-5-9-6-4-8;1-6(2)7-4-9(3)5-8-7;1-6(2)7-3-8-5-9-4-7;1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-8-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;1-4(2)5-6-7-8-9(5)3;1-4(2)5-7-6-3-8-5/h5H,1-4H3;3-7H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;5*3-5H,1-2H3;4H,1-3H3;3-4H,1-2H3.
What are the key properties of 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-yltetrazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole?
3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-yltetrazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole has a molecular weight of 1348.96 g/mol, XLogP of 19.69, 11 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-yltetrazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 158938502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).