3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-5-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-4-propan-2-ylthiophene;3-propan-2-ylfuran;3-propan-2-yl-1H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole

C77H126N12O2S3 — CID 159748044

IUPAC3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-5-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-4-propan-2-ylthiophene;3-propan-2-ylfuran;3-propan-2-yl-1H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole
SMILESCC(C)c1cc[nH]c1.CC(C)c1ccnn1C.CC(C)c1ccoc1.Cc1cnn(C)c1C(C)C.Cc1cscc1C(C)C.Cc1nc(C)c(C(C)C)s1.Cc1nn(C)c(C)c1C(C)C.Cc1nn(C)cc1C(C)C.Cc1noc(C)c1C(C)C.Cc1nscc1C(C)C
InChIInChI=1S/C9H16N2.2C8H14N2.C8H13NO.C8H13NS.C8H12S.C7H12N2.C7H11NS.C7H11N.C7H10O/c1-6(2)9-7(3)10-11(5)8(9)4;1-6(2)8-5-10(4)9-7(8)3;1-6(2)8-7(3)5-9-10(8)4;1-5(2)8-6(3)9-10-7(8)4;1-5(2)8-6(3)9-7(4)10-8;1-6(2)8-5-9-4-7(8)3;1-6(2)7-4-5-8-9(7)3;1-5(2)7-4-9-8-6(7)3;2*1-6(2)7-3-4-8-5-7/h6H,1-5H3;2*5-6H,1-4H3;2*5H,1-4H3;2*4-6H,1-3H3;4-5H,1-3H3;3-6,8H,1-2H3;3-6H,1-2H3
InChIKeyNDHKZWMFDYCYNJ-UHFFFAOYSA-N
MW1348.14 g/mol
LogP23.00
Rot. Bonds10

About 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-5-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-4-propan-2-ylthiophene;3-propan-2-ylfuran;3-propan-2-yl-1H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole

3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-5-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-4-propan-2-ylthiophene;3-propan-2-ylfuran;3-propan-2-yl-1H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole (PubChem CID 159748044) has the molecular formula C77H126N12O2S3 and a molecular weight of 1348.14 g/mol. Its IUPAC name is 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-5-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-4-propan-2-ylthiophene;3-propan-2-ylfuran;3-propan-2-yl-1H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole.

Molecular Properties

Compound Name3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-5-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-4-propan-2-ylthiophene;3-propan-2-ylfuran;3-propan-2-yl-1H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole
PubChem CID159748044
Molecular FormulaC77H126N12O2S3
Molecular Weight1348.14 g/mol
Exact Mass1346.93
IUPAC Name3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-5-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-4-propan-2-ylthiophene;3-propan-2-ylfuran;3-propan-2-yl-1H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole
SMILESCC(C)c1cc[nH]c1.CC(C)c1ccnn1C.CC(C)c1ccoc1.Cc1cnn(C)c1C(C)C.Cc1cscc1C(C)C.Cc1nc(C)c(C(C)C)s1.Cc1nn(C)c(C)c1C(C)C.Cc1nn(C)cc1C(C)C.Cc1noc(C)c1C(C)C.Cc1nscc1C(C)C
InChIInChI=1S/C9H16N2.2C8H14N2.C8H13NO.C8H13NS.C8H12S.C7H12N2.C7H11NS.C7H11N.C7H10O/c1-6(2)9-7(3)10-11(5)8(9)4;1-6(2)8-5-10(4)9-7(8)3;1-6(2)8-7(3)5-9-10(8)4;1-5(2)8-6(3)9-10-7(8)4;1-5(2)8-6(3)9-7(4)10-8;1-6(2)8-5-9-4-7(8)3;1-6(2)7-4-5-8-9(7)3;1-5(2)7-4-9-8-6(7)3;2*1-6(2)7-3-4-8-5-7/h6H,1-5H3;2*5-6H,1-4H3;2*5H,1-4H3;2*4-6H,1-3H3;4-5H,1-3H3;3-6,8H,1-2H3;3-6H,1-2H3
InChIKeyNDHKZWMFDYCYNJ-UHFFFAOYSA-N
XLogP23.00
TPSA152.02 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds10
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001348.14
LogP ≤ 523.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Analyze 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-5-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-4-propan-2-ylthiophene;3-propan-2-ylfuran;3-propan-2-yl-1H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole with MolForge

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Related Compounds

3-[2-(furan-2-yl)-1-(1H-pyrazol-5-yl)-4-(thiadiazol-4-yl)-3-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)thiophen-1-yl]-1,2-oxazole
CID 141290849
2-methylfuran;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene
CID 157102632
1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;2-methylfuran;3-methylfuran;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;3,4,5-trimethyl-1,2-oxazole
CID 157212422
2-methylpropane;1-methyl-4-propan-2-ylpyrazole;3-propan-2-ylfuran;4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene;1H-pyrrole
CID 157213181
1,3-dimethylpyrazole;1,5-dimethylpyrazole;ethane;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;3-methyl-1,2-thiazole;5-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene;4-methyl-4H-thiopyran
CID 157267147
ethane;2-methylfuran;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene
CID 157362507
2-methylfuran;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene
CID 157460024
2,3-di(propan-2-yl)furan;4,5-di(propan-2-yl)-2H-pyrrole;3,4-di(propan-2-yl)-1,2-thiazole;4,5-di(propan-2-yl)-1,3-thiazole;2,3-di(propan-2-yl)thiophene;bis(1-methyl-3,4-di(propan-2-yl)pyrazole);bis(1-methyl-3,5-di(propan-2-yl)pyrazole);1-methyl-4,5-di(propan-2-yl)pyrazole;2-methyl-4,5-di(propan-2-yl)-1,3-thiazole
CID 157522959
4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;4-tert-butyl-5-ethenyl-2H-pyrrole;bis(5-tert-butyl-2-ethenyl-3H-pyrrole);4-tert-butyl-2-ethenyl-1,3-thiazole;4-tert-butyl-3-ethenyl-1,2-thiazole
CID 157641619
3-tert-butylfuran;3-tert-butyl-1H-pyrrole;4-tert-butyl-1,3-thiazole;3-tert-butylthiophene;2-ethyl-1H-pyrrole;2-propan-2-ylfuran;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
CID 157665999
ethane;2-methylfuran;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene
CID 157878642
Ethane;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene
CID 157881955

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-5-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-4-propan-2-ylthiophene;3-propan-2-ylfuran;3-propan-2-yl-1H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole?
The IUPAC name of 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-5-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-4-propan-2-ylthiophene;3-propan-2-ylfuran;3-propan-2-yl-1H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole (CID 159748044) is 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-5-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-4-propan-2-ylthiophene;3-propan-2-ylfuran;3-propan-2-yl-1H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole.
What is the SMILES notation for 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-5-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-4-propan-2-ylthiophene;3-propan-2-ylfuran;3-propan-2-yl-1H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole?
The canonical SMILES for 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-5-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-4-propan-2-ylthiophene;3-propan-2-ylfuran;3-propan-2-yl-1H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole is CC(C)c1cc[nH]c1.CC(C)c1ccnn1C.CC(C)c1ccoc1.Cc1cnn(C)c1C(C)C.Cc1cscc1C(C)C.Cc1nc(C)c(C(C)C)s1.Cc1nn(C)c(C)c1C(C)C.Cc1nn(C)cc1C(C)C.Cc1noc(C)c1C(C)C.Cc1nscc1C(C)C.
What is the InChIKey of 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-5-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-4-propan-2-ylthiophene;3-propan-2-ylfuran;3-propan-2-yl-1H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole?
The InChIKey is NDHKZWMFDYCYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2.2C8H14N2.C8H13NO.C8H13NS.C8H12S.C7H12N2.C7H11NS.C7H11N.C7H10O/c1-6(2)9-7(3)10-11(5)8(9)4;1-6(2)8-5-10(4)9-7(8)3;1-6(2)8-7(3)5-9-10(8)4;1-5(2)8-6(3)9-10-7(8)4;1-5(2)8-6(3)9-7(4)10-8;1-6(2)8-5-9-4-7(8)3;1-6(2)7-4-5-8-9(7)3;1-5(2)7-4-9-8-6(7)3;2*1-6(2)7-3-4-8-5-7/h6H,1-5H3;2*5-6H,1-4H3;2*5H,1-4H3;2*4-6H,1-3H3;4-5H,1-3H3;3-6,8H,1-2H3;3-6H,1-2H3.
What are the key properties of 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-5-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-4-propan-2-ylthiophene;3-propan-2-ylfuran;3-propan-2-yl-1H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole?
3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-5-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-4-propan-2-ylthiophene;3-propan-2-ylfuran;3-propan-2-yl-1H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole has a molecular weight of 1348.14 g/mol, XLogP of 23.00, 10 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-5-propan-2-ylpyrazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-4-propan-2-ylthiophene;3-propan-2-ylfuran;3-propan-2-yl-1H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole is sourced from PubChem (CID 159748044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).