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

C14H18N2O3 — CID 104981037

IUPACN-[(2S)-1-hydroxybutan-2-yl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC[C@@H](CO)NC(=O)C1CC(c2ccccc2)=NO1
InChIInChI=1S/C14H18N2O3/c1-2-11(9-17)15-14(18)13-8-12(16-19-13)10-6-4-3-5-7-10/h3-7,11,13,17H,2,8-9H2,1H3,(H,15,18)/t11-,13?/m0/s1
InChIKeyDYVIMDJHFDUVNN-AMGKYWFPSA-N
MW262.31 g/mol
LogP1.07
Rot. Bonds5

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

N-[(2S)-1-hydroxybutan-2-yl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 104981037) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[(2S)-1-hydroxybutan-2-yl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxybutan-2-yl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID104981037
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-[(2S)-1-hydroxybutan-2-yl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC[C@@H](CO)NC(=O)C1CC(c2ccccc2)=NO1
InChIInChI=1S/C14H18N2O3/c1-2-11(9-17)15-14(18)13-8-12(16-19-13)10-6-4-3-5-7-10/h3-7,11,13,17H,2,8-9H2,1H3,(H,15,18)/t11-,13?/m0/s1
InChIKeyDYVIMDJHFDUVNN-AMGKYWFPSA-N
XLogP1.07
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-N-[(2R)-1-ethylsulfonylpropan-2-yl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 95322598
3-methyl-2-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 43353871
2-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]-3-phenylpropanoic acid
CID 78600802
N-(2-methylpropoxy)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 115410297
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
N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 42816610
2,2-dimethyl-3-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 81369512
2-methoxy-3-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 106107378
3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid;hydrobromide
CID 162314316
(5S)-N-[(2S)-butan-2-yl]-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 135829531
N-cyclopentyl-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 46489182

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 104981037) is N-[(2S)-1-hydroxybutan-2-yl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxybutan-2-yl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxybutan-2-yl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide is CC[C@@H](CO)NC(=O)C1CC(c2ccccc2)=NO1.
What is the InChIKey of N-[(2S)-1-hydroxybutan-2-yl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is DYVIMDJHFDUVNN-AMGKYWFPSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-2-11(9-17)15-14(18)13-8-12(16-19-13)10-6-4-3-5-7-10/h3-7,11,13,17H,2,8-9H2,1H3,(H,15,18)/t11-,13?/m0/s1.
What are the key properties of N-[(2S)-1-hydroxybutan-2-yl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-[(2S)-1-hydroxybutan-2-yl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxybutan-2-yl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 104981037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).