(5S)-N-[(2R)-1-ethylsulfonylpropan-2-yl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide

C15H20N2O4S — CID 95322598

IUPAC(5S)-N-[(2R)-1-ethylsulfonylpropan-2-yl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCS(=O)(=O)C[C@@H](C)NC(=O)[C@@H]1CC(c2ccccc2)=NO1
InChIInChI=1S/C15H20N2O4S/c1-3-22(19,20)10-11(2)16-15(18)14-9-13(17-21-14)12-7-5-4-6-8-12/h4-8,11,14H,3,9-10H2,1-2H3,(H,16,18)/t11-,14+/m1/s1
InChIKeyHDGPAXOHUSBQFK-RISCZKNCSA-N
MW324.40 g/mol
LogP1.12
Rot. Bonds6

About (5S)-N-[(2R)-1-ethylsulfonylpropan-2-yl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide

(5S)-N-[(2R)-1-ethylsulfonylpropan-2-yl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 95322598) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is (5S)-N-[(2R)-1-ethylsulfonylpropan-2-yl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-N-[(2R)-1-ethylsulfonylpropan-2-yl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID95322598
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Name(5S)-N-[(2R)-1-ethylsulfonylpropan-2-yl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCS(=O)(=O)C[C@@H](C)NC(=O)[C@@H]1CC(c2ccccc2)=NO1
InChIInChI=1S/C15H20N2O4S/c1-3-22(19,20)10-11(2)16-15(18)14-9-13(17-21-14)12-7-5-4-6-8-12/h4-8,11,14H,3,9-10H2,1-2H3,(H,16,18)/t11-,14+/m1/s1
InChIKeyHDGPAXOHUSBQFK-RISCZKNCSA-N
XLogP1.12
TPSA84.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5S)-N-[(2R)-1-ethylsulfonylpropan-2-yl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-2-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 43353871
N-[(2S)-1-hydroxybutan-2-yl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 104981037
3-(2,6-difluorophenyl)-N-(1-methylsulfonylpropan-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 102557622
(5S)-N-[(2S)-butan-2-yl]-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 135829531
N-(2-methylpropoxy)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 115410297
2-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]-3-phenylpropanoic acid
CID 78600802
(5S)-N-[(2S)-butan-2-yl]-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 7260009
(5R)-N-[(2R)-butan-2-yl]-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 7260010
N-[bis(4-methoxyphenyl)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 55675627
1-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]ethanone
CID 822979
(2R)-2-methyl-1,4-bis[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]butane-1,4-dione
CID 7373147
(2R)-2-methyl-1-[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]-4-[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]butane-1,4-dione
CID 124714563

Frequently Asked Questions

What is the IUPAC name of (5S)-N-[(2R)-1-ethylsulfonylpropan-2-yl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (5S)-N-[(2R)-1-ethylsulfonylpropan-2-yl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 95322598) is (5S)-N-[(2R)-1-ethylsulfonylpropan-2-yl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5S)-N-[(2R)-1-ethylsulfonylpropan-2-yl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5S)-N-[(2R)-1-ethylsulfonylpropan-2-yl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide is CCS(=O)(=O)C[C@@H](C)NC(=O)[C@@H]1CC(c2ccccc2)=NO1.
What is the InChIKey of (5S)-N-[(2R)-1-ethylsulfonylpropan-2-yl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is HDGPAXOHUSBQFK-RISCZKNCSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-3-22(19,20)10-11(2)16-15(18)14-9-13(17-21-14)12-7-5-4-6-8-12/h4-8,11,14H,3,9-10H2,1-2H3,(H,16,18)/t11-,14+/m1/s1.
What are the key properties of (5S)-N-[(2R)-1-ethylsulfonylpropan-2-yl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
(5S)-N-[(2R)-1-ethylsulfonylpropan-2-yl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 324.40 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-[(2R)-1-ethylsulfonylpropan-2-yl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 95322598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).