5-methyl-3-phenyl-N-[(1R)-1-thiophen-2-ylethyl]-1,2-oxazole-4-carboxamide

C17H16N2O2S — CID 40819505

IUPAC5-methyl-3-phenyl-N-[(1R)-1-thiophen-2-ylethyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)N[C@H](C)c1cccs1
InChIInChI=1S/C17H16N2O2S/c1-11(14-9-6-10-22-14)18-17(20)15-12(2)21-19-16(15)13-7-4-3-5-8-13/h3-11H,1-2H3,(H,18,20)/t11-/m1/s1
InChIKeyXHSIGAORLUVEMJ-LLVKDONJSA-N
MW312.39 g/mol
LogP4.20
Rot. Bonds4

About 5-methyl-3-phenyl-N-[(1R)-1-thiophen-2-ylethyl]-1,2-oxazole-4-carboxamide

5-methyl-3-phenyl-N-[(1R)-1-thiophen-2-ylethyl]-1,2-oxazole-4-carboxamide (PubChem CID 40819505) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 5-methyl-3-phenyl-N-[(1R)-1-thiophen-2-ylethyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-3-phenyl-N-[(1R)-1-thiophen-2-ylethyl]-1,2-oxazole-4-carboxamide
PubChem CID40819505
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name5-methyl-3-phenyl-N-[(1R)-1-thiophen-2-ylethyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)N[C@H](C)c1cccs1
InChIInChI=1S/C17H16N2O2S/c1-11(14-9-6-10-22-14)18-17(20)15-12(2)21-19-16(15)13-7-4-3-5-8-13/h3-11H,1-2H3,(H,18,20)/t11-/m1/s1
InChIKeyXHSIGAORLUVEMJ-LLVKDONJSA-N
XLogP4.20
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 7581384
N-[1-(furan-2-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 18110349
N-[1-(4-methoxyphenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 17330097
5-methyl-3-phenyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide
CID 2915253
N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 768439
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 25373344
N-[1-[3-(methanesulfonamido)phenyl]ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 60512827
5-methyl-3-phenyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]-1,2-oxazole-4-carboxamide
CID 9472032
N-[4-(furan-2-yl)butan-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 18162415
4-benzoyl-N-(1-thiophen-2-ylethyl)benzamide
CID 17431646
N-(4,5-dimethyl-1,2-oxazol-3-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 138046221
3-phenyl-N-(1-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 18110932

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenyl-N-[(1R)-1-thiophen-2-ylethyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-3-phenyl-N-[(1R)-1-thiophen-2-ylethyl]-1,2-oxazole-4-carboxamide (CID 40819505) is 5-methyl-3-phenyl-N-[(1R)-1-thiophen-2-ylethyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-3-phenyl-N-[(1R)-1-thiophen-2-ylethyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-3-phenyl-N-[(1R)-1-thiophen-2-ylethyl]-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)N[C@H](C)c1cccs1.
What is the InChIKey of 5-methyl-3-phenyl-N-[(1R)-1-thiophen-2-ylethyl]-1,2-oxazole-4-carboxamide?
The InChIKey is XHSIGAORLUVEMJ-LLVKDONJSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-11(14-9-6-10-22-14)18-17(20)15-12(2)21-19-16(15)13-7-4-3-5-8-13/h3-11H,1-2H3,(H,18,20)/t11-/m1/s1.
What are the key properties of 5-methyl-3-phenyl-N-[(1R)-1-thiophen-2-ylethyl]-1,2-oxazole-4-carboxamide?
5-methyl-3-phenyl-N-[(1R)-1-thiophen-2-ylethyl]-1,2-oxazole-4-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-N-[(1R)-1-thiophen-2-ylethyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 40819505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).