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

C67H94N16O3S3 — CID 157212422

IUPAC1,3-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
SMILESCc1cc[nH]c1.Cc1ccc[nH]1.Cc1ccco1.Cc1cccs1.Cc1ccn(C)n1.Cc1ccn[nH]1.Cc1ccn[nH]1.Cc1ccnn1C.Cc1ccoc1.Cc1ccsc1.Cc1cn[nH]c1.Cc1cncs1.Cc1cnn(C)c1.Cc1noc(C)c1C
InChIInChI=1S/C6H9NO.3C5H8N2.2C5H7N.2C5H6O.2C5H6S.3C4H6N2.C4H5NS/c1-4-5(2)7-8-6(4)3;1-5-3-6-7(2)4-5;1-5-3-4-7(2)6-5;1-5-3-4-6-7(5)2;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-4-2-5-6-3-4;2*1-4-2-3-5-6-4;1-4-2-5-3-6-4/h1-3H3;3*3-4H,1-2H3;2*2-4,6H,1H3;4*2-4H,1H3;3*2-3H,1H3,(H,5,6);2-3H,1H3
InChIKeyASAORWJQZWNTLW-UHFFFAOYSA-N
MW1267.80 g/mol
LogP17.33
Rot. Bonds

About 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

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 (PubChem CID 157212422) has the molecular formula C67H94N16O3S3 and a molecular weight of 1267.80 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,3-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
PubChem CID157212422
Molecular FormulaC67H94N16O3S3
Molecular Weight1267.80 g/mol
Exact Mass1266.69
IUPAC Name1,3-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
SMILESCc1cc[nH]c1.Cc1ccc[nH]1.Cc1ccco1.Cc1cccs1.Cc1ccn(C)n1.Cc1ccn[nH]1.Cc1ccn[nH]1.Cc1ccnn1C.Cc1ccoc1.Cc1ccsc1.Cc1cn[nH]c1.Cc1cncs1.Cc1cnn(C)c1.Cc1noc(C)c1C
InChIInChI=1S/C6H9NO.3C5H8N2.2C5H7N.2C5H6O.2C5H6S.3C4H6N2.C4H5NS/c1-4-5(2)7-8-6(4)3;1-5-3-6-7(2)4-5;1-5-3-4-7(2)6-5;1-5-3-4-6-7(5)2;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-4-2-5-6-3-4;2*1-4-2-3-5-6-4;1-4-2-5-3-6-4/h1-3H3;3*3-4H,1-2H3;2*2-4,6H,1H3;4*2-4H,1H3;3*2-3H,1H3,(H,5,6);2-3H,1H3
InChIKeyASAORWJQZWNTLW-UHFFFAOYSA-N
XLogP17.33
TPSA236.28 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001267.80
LogP ≤ 517.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Analyze 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 with MolForge

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Related Compounds

3-[5-(furan-2-yl)-1-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-1-(2H-tetrazol-5-yl)-4-thiophen-2-yl-1-(2H-triazol-4-yl)-1,3-thiazol-2-yl]-1,2-oxazole
CID 141045087
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
1-bromo-3,4-dimethylpyrazole;1-bromo-4,5-dimethylpyrazole;bis(2,3-dimethylfuran);4,5-dimethyl-1H-pyrazole;bis(2,3-dimethylthiophene);1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole
CID 157078803
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
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
1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;bis(5-tert-butyl-1H-pyrazole);2-tert-butylthiophene;3-tert-butylthiophene;ethane
CID 157403668
5-[(E)-2-(furan-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrazole;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole;5-[(E)-2-(1H-pyrrol-2-yl)ethenyl]-1H-pyrazole;5-[(E)-2-(1H-pyrrol-3-yl)ethenyl]-1H-pyrazole;5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrazole;5-[(E)-2-thiophen-3-ylethenyl]-1H-pyrazole
CID 157430747
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
1,2-Dimethylpyrrole;1,3-dimethylpyrrole;ethane;bis(2-methylfuran);bis(3-methyl-1,2-oxazole);bis(4-methyl-1,2-oxazole);5-methyl-1,2-oxazole;tris(2-methylthiophene)
CID 157465996
3-tert-butyl-1,2-oxazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene
CID 157847250

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc[nH]c1.Cc1ccc[nH]1.Cc1ccco1.Cc1cccs1.Cc1ccn(C)n1.Cc1ccn[nH]1.Cc1ccn[nH]1.Cc1ccnn1C.Cc1ccoc1.Cc1ccsc1.Cc1cn[nH]c1.Cc1cncs1.Cc1cnn(C)c1.Cc1noc(C)c1C.
What is the InChIKey of 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?
The InChIKey is ASAORWJQZWNTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.3C5H8N2.2C5H7N.2C5H6O.2C5H6S.3C4H6N2.C4H5NS/c1-4-5(2)7-8-6(4)3;1-5-3-6-7(2)4-5;1-5-3-4-7(2)6-5;1-5-3-4-6-7(5)2;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-4-2-5-6-3-4;2*1-4-2-3-5-6-4;1-4-2-5-3-6-4/h1-3H3;3*3-4H,1-2H3;2*2-4,6H,1H3;4*2-4H,1H3;3*2-3H,1H3,(H,5,6);2-3H,1H3.
What are the key properties of 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?
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 has a molecular weight of 1267.80 g/mol, XLogP of 17.33, 0 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157212422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).