3-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-1,2-oxazole-5-carboxamide

C14H16N2O2S — CID 38916927

IUPAC3-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-1,2-oxazole-5-carboxamide
SMILESCSc1ccc([C@H](C)NC(=O)c2cc(C)no2)cc1
InChIInChI=1S/C14H16N2O2S/c1-9-8-13(18-16-9)14(17)15-10(2)11-4-6-12(19-3)7-5-11/h4-8,10H,1-3H3,(H,15,17)/t10-/m0/s1
InChIKeyPXBXPTLVHYEZGF-JTQLQIEISA-N
MW276.36 g/mol
LogP3.20
Rot. Bonds4

About 3-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-1,2-oxazole-5-carboxamide

3-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-1,2-oxazole-5-carboxamide (PubChem CID 38916927) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 3-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-1,2-oxazole-5-carboxamide
PubChem CID38916927
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name3-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-1,2-oxazole-5-carboxamide
SMILESCSc1ccc([C@H](C)NC(=O)c2cc(C)no2)cc1
InChIInChI=1S/C14H16N2O2S/c1-9-8-13(18-16-9)14(17)15-10(2)11-4-6-12(19-3)7-5-11/h4-8,10H,1-3H3,(H,15,17)/t10-/m0/s1
InChIKeyPXBXPTLVHYEZGF-JTQLQIEISA-N
XLogP3.20
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 93247266
3-methyl-N-(4-methylsulfanylphenyl)-1,2-oxazole-5-carboxamide
CID 16880199
3,5-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]-1,2-oxazole-4-carboxamide
CID 46440611
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 18143574
2,4,5-trimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]furan-3-carboxamide
CID 46432738
3-methyl-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-1,2-oxazole-5-carboxamide
CID 46823792
(2R)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 28777806
N-[(1R)-1-(2-bromophenyl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 51857396
N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-4-carboxamide
CID 42959631
2-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 34483278
3,5-dibromo-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 107980230
2-fluoro-5-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 62512005

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-1,2-oxazole-5-carboxamide (CID 38916927) is 3-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-1,2-oxazole-5-carboxamide is CSc1ccc([C@H](C)NC(=O)c2cc(C)no2)cc1.
What is the InChIKey of 3-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-1,2-oxazole-5-carboxamide?
The InChIKey is PXBXPTLVHYEZGF-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-9-8-13(18-16-9)14(17)15-10(2)11-4-6-12(19-3)7-5-11/h4-8,10H,1-3H3,(H,15,17)/t10-/m0/s1.
What are the key properties of 3-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-1,2-oxazole-5-carboxamide?
3-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-1,2-oxazole-5-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 38916927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).