5-(3-methoxyphenyl)-N-[(2R)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]-1,2-oxazole-3-carboxamide

C25H27N3O4 — CID 93140685

IUPAC5-(3-methoxyphenyl)-N-[(2R)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]-1,2-oxazole-3-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)N[C@H](Cc3ccccc3)C(=O)N3CCCCC3)no2)c1
InChIInChI=1S/C25H27N3O4/c1-31-20-12-8-11-19(16-20)23-17-21(27-32-23)24(29)26-22(15-18-9-4-2-5-10-18)25(30)28-13-6-3-7-14-28/h2,4-5,8-12,16-17,22H,3,6-7,13-15H2,1H3,(H,26,29)/t22-/m1/s1
InChIKeyIEEGYVPXJUSXSV-JOCHJYFZSA-N
MW433.51 g/mol
LogP3.70
Rot. Bonds7

About 5-(3-methoxyphenyl)-N-[(2R)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]-1,2-oxazole-3-carboxamide

5-(3-methoxyphenyl)-N-[(2R)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 93140685) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-N-[(2R)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-N-[(2R)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]-1,2-oxazole-3-carboxamide
PubChem CID93140685
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC Name5-(3-methoxyphenyl)-N-[(2R)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]-1,2-oxazole-3-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)N[C@H](Cc3ccccc3)C(=O)N3CCCCC3)no2)c1
InChIInChI=1S/C25H27N3O4/c1-31-20-12-8-11-19(16-20)23-17-21(27-32-23)24(29)26-22(15-18-9-4-2-5-10-18)25(30)28-13-6-3-7-14-28/h2,4-5,8-12,16-17,22H,3,6-7,13-15H2,1H3,(H,26,29)/t22-/m1/s1
InChIKeyIEEGYVPXJUSXSV-JOCHJYFZSA-N
XLogP3.70
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(3-methoxyphenyl)-N-[(2R)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

ethyl (3S)-1-[(2R)-2-[[5-(3-methoxyphenyl)-1,2-oxazole-3-carbonyl]amino]-3-phenylpropanoyl]piperidine-3-carboxylate
CID 93140691
3-methoxy-N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]benzamide
CID 110347364
5-(3-methoxyphenyl)-N-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-1,2-oxazole-3-carboxamide
CID 93140823
N-[2-(4-ethylpiperazin-1-yl)-2-oxo-1-phenylethyl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 51070161
4-methoxy-N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)benzamide
CID 5021960
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone
CID 22427421
5-(3-methoxyphenyl)-N-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1,2-oxazole-3-carboxamide
CID 42822390
methyl N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]carbamate
CID 110347389
N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)-2-phenylacetamide
CID 42696444
N-[(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 38574785
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]-2-phenoxyacetamide
CID 110347375
5-(2,5-dimethylphenyl)-N-[(2S)-1-(4-methylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-1,2-oxazole-3-carboxamide
CID 93143742

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-N-[(2R)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(3-methoxyphenyl)-N-[(2R)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]-1,2-oxazole-3-carboxamide (CID 93140685) is 5-(3-methoxyphenyl)-N-[(2R)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(3-methoxyphenyl)-N-[(2R)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(3-methoxyphenyl)-N-[(2R)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]-1,2-oxazole-3-carboxamide is COc1cccc(-c2cc(C(=O)N[C@H](Cc3ccccc3)C(=O)N3CCCCC3)no2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-N-[(2R)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is IEEGYVPXJUSXSV-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-31-20-12-8-11-19(16-20)23-17-21(27-32-23)24(29)26-22(15-18-9-4-2-5-10-18)25(30)28-13-6-3-7-14-28/h2,4-5,8-12,16-17,22H,3,6-7,13-15H2,1H3,(H,26,29)/t22-/m1/s1.
What are the key properties of 5-(3-methoxyphenyl)-N-[(2R)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]-1,2-oxazole-3-carboxamide?
5-(3-methoxyphenyl)-N-[(2R)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-N-[(2R)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 93140685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).