N-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide

C23H23N3O4 — CID 86885892

IUPACN-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCOc1ccccc1C1CCCN1C(=O)CNC(=O)c1cc(-c2ccccc2)on1
InChIInChI=1S/C23H23N3O4/c1-29-20-12-6-5-10-17(20)19-11-7-13-26(19)22(27)15-24-23(28)18-14-21(30-25-18)16-8-3-2-4-9-16/h2-6,8-10,12,14,19H,7,11,13,15H2,1H3,(H,24,28)
InChIKeyBWYLEOLDRAFLGD-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.44
Rot. Bonds6

About N-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 86885892) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is N-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID86885892
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC NameN-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCOc1ccccc1C1CCCN1C(=O)CNC(=O)c1cc(-c2ccccc2)on1
InChIInChI=1S/C23H23N3O4/c1-29-20-12-6-5-10-17(20)19-11-7-13-26(19)22(27)15-24-23(28)18-14-21(30-25-18)16-8-3-2-4-9-16/h2-6,8-10,12,14,19H,7,11,13,15H2,1H3,(H,24,28)
InChIKeyBWYLEOLDRAFLGD-UHFFFAOYSA-N
XLogP3.44
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 86968707
N-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 86957488
1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-(methylamino)ethanone
CID 83625391
[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 42921796
N-[2-(4-cyclohexyloxypiperidin-1-yl)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 86876644
2-methoxy-N-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]benzamide
CID 42932893
2-chloro-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 176997579
N-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 17473150
N-[2-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 31060671
N-(cyclobutylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 33379552
N-[(3,4-dimethoxyphenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51261874
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 51855884

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 86885892) is N-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide is COc1ccccc1C1CCCN1C(=O)CNC(=O)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is BWYLEOLDRAFLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-29-20-12-6-5-10-17(20)19-11-7-13-26(19)22(27)15-24-23(28)18-14-21(30-25-18)16-8-3-2-4-9-16/h2-6,8-10,12,14,19H,7,11,13,15H2,1H3,(H,24,28).
What are the key properties of N-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 405.45 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 86885892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).