(2S)-2-phenyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)butanamide

C17H16N2O2S — CID 95095095

IUPAC(2S)-2-phenyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)butanamide
SMILESCC[C@H](C(=O)Nc1cc(-c2ccsc2)no1)c1ccccc1
InChIInChI=1S/C17H16N2O2S/c1-2-14(12-6-4-3-5-7-12)17(20)18-16-10-15(19-21-16)13-8-9-22-11-13/h3-11,14H,2H2,1H3,(H,18,20)/t14-/m0/s1
InChIKeyNEZZRVZVSYIGIT-AWEZNQCLSA-N
MW312.39 g/mol
LogP4.54
Rot. Bonds5

About (2S)-2-phenyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)butanamide

(2S)-2-phenyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)butanamide (PubChem CID 95095095) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is (2S)-2-phenyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-phenyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)butanamide
PubChem CID95095095
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name(2S)-2-phenyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)butanamide
SMILESCC[C@H](C(=O)Nc1cc(-c2ccsc2)no1)c1ccccc1
InChIInChI=1S/C17H16N2O2S/c1-2-14(12-6-4-3-5-7-12)17(20)18-16-10-15(19-21-16)13-8-9-22-11-13/h3-11,14H,2H2,1H3,(H,18,20)/t14-/m0/s1
InChIKeyNEZZRVZVSYIGIT-AWEZNQCLSA-N
XLogP4.54
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-phenyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)butanamide
CID 95095096
2-phenyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)butanamide
CID 53143270
N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)-2-phenylbutanamide
CID 42687275
5-phenyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)-1,3-oxazole-4-carboxamide
CID 53143297
2,4-dimethyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)benzamide
CID 53143283
2-(3,5-dimethoxyphenyl)-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)acetamide
CID 53143312
3-methoxy-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)benzamide
CID 53143279
5-bromo-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)furan-2-carboxamide
CID 53143253
3-(4-methoxyphenyl)-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)propanamide
CID 53143269
3-cyclopentyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)propanamide
CID 53143257
N-(5-bromo-1,3-thiazol-2-yl)-2-phenylbutanamide
CID 54917989
(2R)-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-2-phenylbutanamide
CID 97414224

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)butanamide?
The IUPAC name of (2S)-2-phenyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)butanamide (CID 95095095) is (2S)-2-phenyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)butanamide.
What is the SMILES notation for (2S)-2-phenyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)butanamide?
The canonical SMILES for (2S)-2-phenyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)butanamide is CC[C@H](C(=O)Nc1cc(-c2ccsc2)no1)c1ccccc1.
What is the InChIKey of (2S)-2-phenyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)butanamide?
The InChIKey is NEZZRVZVSYIGIT-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-2-14(12-6-4-3-5-7-12)17(20)18-16-10-15(19-21-16)13-8-9-22-11-13/h3-11,14H,2H2,1H3,(H,18,20)/t14-/m0/s1.
What are the key properties of (2S)-2-phenyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)butanamide?
(2S)-2-phenyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)butanamide has a molecular weight of 312.39 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)butanamide is sourced from PubChem (CID 95095095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).