(5S)-N-(2-benzamidoethyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide

C19H19N3O3 — CID 94538881

IUPAC(5S)-N-(2-benzamidoethyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESO=C(NCCNC(=O)c1ccccc1)C1=NO[C@H](c2ccccc2)C1
InChIInChI=1S/C19H19N3O3/c23-18(15-9-5-2-6-10-15)20-11-12-21-19(24)16-13-17(25-22-16)14-7-3-1-4-8-14/h1-10,17H,11-13H2,(H,20,23)(H,21,24)/t17-/m0/s1
InChIKeySXGZZGKZHRTYDN-KRWDZBQOSA-N
MW337.38 g/mol
LogP2.05
Rot. Bonds6

About (5S)-N-(2-benzamidoethyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide

(5S)-N-(2-benzamidoethyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide (PubChem CID 94538881) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is (5S)-N-(2-benzamidoethyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name(5S)-N-(2-benzamidoethyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
PubChem CID94538881
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name(5S)-N-(2-benzamidoethyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESO=C(NCCNC(=O)c1ccccc1)C1=NO[C@H](c2ccccc2)C1
InChIInChI=1S/C19H19N3O3/c23-18(15-9-5-2-6-10-15)20-11-12-21-19(24)16-13-17(25-22-16)14-7-3-1-4-8-14/h1-10,17H,11-13H2,(H,20,23)(H,21,24)/t17-/m0/s1
InChIKeySXGZZGKZHRTYDN-KRWDZBQOSA-N
XLogP2.05
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(5R)-N-[2-(methanesulfonamido)ethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 94569889
methyl 4-[[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]amino]butanoate
CID 94463007
(5S)-N-[2-[(6-methylpyridazin-3-yl)amino]ethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 95309406
N'-(4-ethoxybenzoyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbohydrazide
CID 55863429
(5S)-N',N',5-triphenyl-4,5-dihydro-1,2-oxazole-3-carbohydrazide
CID 95062084
2-bromo-1-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)ethanone
CID 87557465
5-phenyl-N-pyridin-2-yl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 167954246
(5S)-N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 94829182
(5R)-N-[(3-hydroxy-4-methoxyphenyl)methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 94605167
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 75387651
(5R)-5-phenyl-N-[(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 95286807
N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 47904784

Frequently Asked Questions

What is the IUPAC name of (5S)-N-(2-benzamidoethyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The IUPAC name of (5S)-N-(2-benzamidoethyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide (CID 94538881) is (5S)-N-(2-benzamidoethyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for (5S)-N-(2-benzamidoethyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The canonical SMILES for (5S)-N-(2-benzamidoethyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide is O=C(NCCNC(=O)c1ccccc1)C1=NO[C@H](c2ccccc2)C1.
What is the InChIKey of (5S)-N-(2-benzamidoethyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The InChIKey is SXGZZGKZHRTYDN-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19N3O3/c23-18(15-9-5-2-6-10-15)20-11-12-21-19(24)16-13-17(25-22-16)14-7-3-1-4-8-14/h1-10,17H,11-13H2,(H,20,23)(H,21,24)/t17-/m0/s1.
What are the key properties of (5S)-N-(2-benzamidoethyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
(5S)-N-(2-benzamidoethyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-(2-benzamidoethyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 94538881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).