(3-phenyl-1,2-oxazol-5-yl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate

C24H24N2O4 — CID 37143786

IUPAC(3-phenyl-1,2-oxazol-5-yl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate
SMILESCC(=O)N1CCC(C(=O)OCc2cc(-c3ccccc3)no2)(c2ccccc2)CC1
InChIInChI=1S/C24H24N2O4/c1-18(27)26-14-12-24(13-15-26,20-10-6-3-7-11-20)23(28)29-17-21-16-22(25-30-21)19-8-4-2-5-9-19/h2-11,16H,12-15,17H2,1H3
InChIKeyFXEWKMLPQINIRS-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.97
Rot. Bonds5

About (3-phenyl-1,2-oxazol-5-yl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate

(3-phenyl-1,2-oxazol-5-yl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate (PubChem CID 37143786) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is (3-phenyl-1,2-oxazol-5-yl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate.

Molecular Properties

Compound Name(3-phenyl-1,2-oxazol-5-yl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate
PubChem CID37143786
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name(3-phenyl-1,2-oxazol-5-yl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate
SMILESCC(=O)N1CCC(C(=O)OCc2cc(-c3ccccc3)no2)(c2ccccc2)CC1
InChIInChI=1S/C24H24N2O4/c1-18(27)26-14-12-24(13-15-26,20-10-6-3-7-11-20)23(28)29-17-21-16-22(25-30-21)19-8-4-2-5-9-19/h2-11,16H,12-15,17H2,1H3
InChIKeyFXEWKMLPQINIRS-UHFFFAOYSA-N
XLogP3.97
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-phenyl-1,2-oxazol-5-yl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate 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

(2,6-dichlorophenyl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 8526973
naphthalen-1-ylmethyl 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 8526911
[2-(3,4-dichlorophenyl)-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 42983074
1-[2-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 110091622
1-[3-[(3-phenyl-1,2-oxazol-5-yl)methyl]-3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 110129866
1-[4-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 30760408
[2-(2-methylpropylamino)-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 8526930
(3-methoxycarbonylphenyl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 8527045
(7-hydroxy-2-oxochromen-4-yl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 8526949
methyl 3-phenyl-1-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxylate
CID 171908349
[(E)-3-phenylprop-2-enyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 42976592
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 8526904

Frequently Asked Questions

What is the IUPAC name of (3-phenyl-1,2-oxazol-5-yl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate?
The IUPAC name of (3-phenyl-1,2-oxazol-5-yl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate (CID 37143786) is (3-phenyl-1,2-oxazol-5-yl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate.
What is the SMILES notation for (3-phenyl-1,2-oxazol-5-yl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate?
The canonical SMILES for (3-phenyl-1,2-oxazol-5-yl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate is CC(=O)N1CCC(C(=O)OCc2cc(-c3ccccc3)no2)(c2ccccc2)CC1.
What is the InChIKey of (3-phenyl-1,2-oxazol-5-yl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate?
The InChIKey is FXEWKMLPQINIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-18(27)26-14-12-24(13-15-26,20-10-6-3-7-11-20)23(28)29-17-21-16-22(25-30-21)19-8-4-2-5-9-19/h2-11,16H,12-15,17H2,1H3.
What are the key properties of (3-phenyl-1,2-oxazol-5-yl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate?
(3-phenyl-1,2-oxazol-5-yl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate has a molecular weight of 404.47 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-1,2-oxazol-5-yl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate is sourced from PubChem (CID 37143786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).