N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]-5-phenyl-1,2-oxazole-3-carboxamide

C24H21N3O3 — CID 90551130

IUPACN-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NCC#Cc1ccc(N2CCCCC2=O)cc1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C24H21N3O3/c28-23-10-4-5-16-27(23)20-13-11-18(12-14-20)7-6-15-25-24(29)21-17-22(30-26-21)19-8-2-1-3-9-19/h1-3,8-9,11-14,17H,4-5,10,15-16H2,(H,25,29)
InChIKeyLKUPEOBDLSGIHH-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.64
Rot. Bonds4

About N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 90551130) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID90551130
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC NameN-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NCC#Cc1ccc(N2CCCCC2=O)cc1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C24H21N3O3/c28-23-10-4-5-16-27(23)20-13-11-18(12-14-20)7-6-15-25-24(29)21-17-22(30-26-21)19-8-2-1-3-9-19/h1-3,8-9,11-14,17H,4-5,10,15-16H2,(H,25,29)
InChIKeyLKUPEOBDLSGIHH-UHFFFAOYSA-N
XLogP3.64
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]-5-phenyl-1,2-oxazole-3-carboxamide 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

5-methyl-N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]-1,2-oxazole-3-carboxamide
CID 90551143
5-phenyl-N-(3-phenylprop-2-ynyl)-1,2-oxazole-3-carboxamide
CID 24669082
6-oxo-N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]-1H-pyridazine-3-carboxamide
CID 90550936
2,6-difluoro-N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]benzamide
CID 90551027
N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]-3-phenylpropanamide
CID 90551083
2-benzylsulfanyl-N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]acetamide
CID 90551070
3-methoxy-N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]benzamide
CID 90551003
2-nitro-N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]benzamide
CID 90551034
2,2-dimethyl-N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]propanamide
CID 90550972
N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]-4-propylthiadiazole-5-carboxamide
CID 90551159
2,2,2-trifluoro-N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]acetamide
CID 90551162
4-nitro-N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]benzamide
CID 90551036

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 90551130) is N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]-5-phenyl-1,2-oxazole-3-carboxamide is O=C(NCC#Cc1ccc(N2CCCCC2=O)cc1)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is LKUPEOBDLSGIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c28-23-10-4-5-16-27(23)20-13-11-18(12-14-20)7-6-15-25-24(29)21-17-22(30-26-21)19-8-2-1-3-9-19/h1-3,8-9,11-14,17H,4-5,10,15-16H2,(H,25,29).
What are the key properties of N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 90551130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).