3-methyl-N-(4-methylsulfanylphenyl)-1,2-oxazole-5-carboxamide

C12H12N2O2S — CID 16880199

IUPAC3-methyl-N-(4-methylsulfanylphenyl)-1,2-oxazole-5-carboxamide
SMILESCSc1ccc(NC(=O)c2cc(C)no2)cc1
InChIInChI=1S/C12H12N2O2S/c1-8-7-11(16-14-8)12(15)13-9-3-5-10(17-2)6-4-9/h3-7H,1-2H3,(H,13,15)
InChIKeyOZNUMTFMNYIWHG-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.96
Rot. Bonds3

About 3-methyl-N-(4-methylsulfanylphenyl)-1,2-oxazole-5-carboxamide

3-methyl-N-(4-methylsulfanylphenyl)-1,2-oxazole-5-carboxamide (PubChem CID 16880199) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 3-methyl-N-(4-methylsulfanylphenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(4-methylsulfanylphenyl)-1,2-oxazole-5-carboxamide
PubChem CID16880199
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name3-methyl-N-(4-methylsulfanylphenyl)-1,2-oxazole-5-carboxamide
SMILESCSc1ccc(NC(=O)c2cc(C)no2)cc1
InChIInChI=1S/C12H12N2O2S/c1-8-7-11(16-14-8)12(15)13-9-3-5-10(17-2)6-4-9/h3-7H,1-2H3,(H,13,15)
InChIKeyOZNUMTFMNYIWHG-UHFFFAOYSA-N
XLogP2.96
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-carbamoylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 21432228
N-(4-benzamidophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 43911460
N-[4-(aminomethyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 104954922
3-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-1,2-oxazole-5-carboxamide
CID 38916927
3-[4-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]propanoic acid
CID 75513517
N-[4-(3-aminoprop-1-ynyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 54922392
N-(3-fluorophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 16606648
(E)-3-[4-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]prop-2-enoic acid
CID 60749768
3-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]-1,2-oxazole-5-carboxamide
CID 106910483
N-[4-(4-hydroxybut-1-ynyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 60804396
2-methyl-3-[4-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]propanoic acid
CID 120540971
N-(4-butoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 43911364

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methylsulfanylphenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methyl-N-(4-methylsulfanylphenyl)-1,2-oxazole-5-carboxamide (CID 16880199) is 3-methyl-N-(4-methylsulfanylphenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-(4-methylsulfanylphenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-(4-methylsulfanylphenyl)-1,2-oxazole-5-carboxamide is CSc1ccc(NC(=O)c2cc(C)no2)cc1.
What is the InChIKey of 3-methyl-N-(4-methylsulfanylphenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is OZNUMTFMNYIWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-8-7-11(16-14-8)12(15)13-9-3-5-10(17-2)6-4-9/h3-7H,1-2H3,(H,13,15).
What are the key properties of 3-methyl-N-(4-methylsulfanylphenyl)-1,2-oxazole-5-carboxamide?
3-methyl-N-(4-methylsulfanylphenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 248.31 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methylsulfanylphenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 16880199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).