(2R,3S)-N-(2-hydroxyphenyl)-3-phenyloxirane-2-carboxamide

C15H13NO3 — CID 45086957

IUPAC(2R,3S)-N-(2-hydroxyphenyl)-3-phenyloxirane-2-carboxamide
SMILESO=C(Nc1ccccc1O)[C@@H]1O[C@H]1c1ccccc1
InChIInChI=1S/C15H13NO3/c17-12-9-5-4-8-11(12)16-15(18)14-13(19-14)10-6-2-1-3-7-10/h1-9,13-14,17H,(H,16,18)/t13-,14+/m0/s1
InChIKeyVAPREBOMBAXIJR-UONOGXRCSA-N
MW255.27 g/mol
LogP2.47
Rot. Bonds3

About (2R,3S)-N-(2-hydroxyphenyl)-3-phenyloxirane-2-carboxamide

(2R,3S)-N-(2-hydroxyphenyl)-3-phenyloxirane-2-carboxamide (PubChem CID 45086957) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is (2R,3S)-N-(2-hydroxyphenyl)-3-phenyloxirane-2-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-(2-hydroxyphenyl)-3-phenyloxirane-2-carboxamide
PubChem CID45086957
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name(2R,3S)-N-(2-hydroxyphenyl)-3-phenyloxirane-2-carboxamide
SMILESO=C(Nc1ccccc1O)[C@@H]1O[C@H]1c1ccccc1
InChIInChI=1S/C15H13NO3/c17-12-9-5-4-8-11(12)16-15(18)14-13(19-14)10-6-2-1-3-7-10/h1-9,13-14,17H,(H,16,18)/t13-,14+/m0/s1
InChIKeyVAPREBOMBAXIJR-UONOGXRCSA-N
XLogP2.47
TPSA61.86 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2S,3S)-3-phenyloxirane-2-carboxylic acid
CID 906621
N-ethyl-3-phenyloxirane-2-carboxamide
CID 130023918
CID 131880928
CID 131880928
potassium 3-phenyloxirane-2-carboxylic acid
CID 54603648
(1S,2R,3R,4R)-3-[(2-hydroxyphenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 11869104
(2S,3S)-3-phenyloxirane-2-carbonyl chloride
CID 45081515
(2R,3R)-3-(3-chlorophenyl)-N-phenyloxirane-2-carboxamide
CID 139078040
(2S,3S)-3-phenyl-N-[(Z)-2-phenylethenyl]oxirane-2-carboxamide
CID 135914517
(1S,2R,6R,8S,9R)-N-(2-hydroxyphenyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide
CID 11874612
sodium (2R,3R)-3-phenyloxirane-2-carboxylate
CID 23681615
phenyl-[(2S,3R)-3-phenyloxiran-2-yl]methanone
CID 728561
(2S,3R)-N-(2-hydroxyphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 29136577

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-(2-hydroxyphenyl)-3-phenyloxirane-2-carboxamide?
The IUPAC name of (2R,3S)-N-(2-hydroxyphenyl)-3-phenyloxirane-2-carboxamide (CID 45086957) is (2R,3S)-N-(2-hydroxyphenyl)-3-phenyloxirane-2-carboxamide.
What is the SMILES notation for (2R,3S)-N-(2-hydroxyphenyl)-3-phenyloxirane-2-carboxamide?
The canonical SMILES for (2R,3S)-N-(2-hydroxyphenyl)-3-phenyloxirane-2-carboxamide is O=C(Nc1ccccc1O)[C@@H]1O[C@H]1c1ccccc1.
What is the InChIKey of (2R,3S)-N-(2-hydroxyphenyl)-3-phenyloxirane-2-carboxamide?
The InChIKey is VAPREBOMBAXIJR-UONOGXRCSA-N. The full InChI is InChI=1S/C15H13NO3/c17-12-9-5-4-8-11(12)16-15(18)14-13(19-14)10-6-2-1-3-7-10/h1-9,13-14,17H,(H,16,18)/t13-,14+/m0/s1.
What are the key properties of (2R,3S)-N-(2-hydroxyphenyl)-3-phenyloxirane-2-carboxamide?
(2R,3S)-N-(2-hydroxyphenyl)-3-phenyloxirane-2-carboxamide has a molecular weight of 255.27 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-(2-hydroxyphenyl)-3-phenyloxirane-2-carboxamide is sourced from PubChem (CID 45086957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).