N-methyl-3-phenyl-1-(5-phenyl-1,2-oxazole-4-carbonyl)pyrrolidine-3-carboxamide

C22H21N3O3 — CID 143615411

IUPACN-methyl-3-phenyl-1-(5-phenyl-1,2-oxazole-4-carbonyl)pyrrolidine-3-carboxamide
SMILESCNC(=O)C1(c2ccccc2)CCN(C(=O)c2cnoc2-c2ccccc2)C1
InChIInChI=1S/C22H21N3O3/c1-23-21(27)22(17-10-6-3-7-11-17)12-13-25(15-22)20(26)18-14-24-28-19(18)16-8-4-2-5-9-16/h2-11,14H,12-13,15H2,1H3,(H,23,27)
InChIKeyYWHDHZUYMOXELG-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.87
Rot. Bonds4

About N-methyl-3-phenyl-1-(5-phenyl-1,2-oxazole-4-carbonyl)pyrrolidine-3-carboxamide

N-methyl-3-phenyl-1-(5-phenyl-1,2-oxazole-4-carbonyl)pyrrolidine-3-carboxamide (PubChem CID 143615411) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-methyl-3-phenyl-1-(5-phenyl-1,2-oxazole-4-carbonyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-3-phenyl-1-(5-phenyl-1,2-oxazole-4-carbonyl)pyrrolidine-3-carboxamide
PubChem CID143615411
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN-methyl-3-phenyl-1-(5-phenyl-1,2-oxazole-4-carbonyl)pyrrolidine-3-carboxamide
SMILESCNC(=O)C1(c2ccccc2)CCN(C(=O)c2cnoc2-c2ccccc2)C1
InChIInChI=1S/C22H21N3O3/c1-23-21(27)22(17-10-6-3-7-11-17)12-13-25(15-22)20(26)18-14-24-28-19(18)16-8-4-2-5-9-16/h2-11,14H,12-13,15H2,1H3,(H,23,27)
InChIKeyYWHDHZUYMOXELG-UHFFFAOYSA-N
XLogP2.87
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-phenyl-1-(5-phenyl-1,2-oxazole-4-carbonyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-methyl-3-phenyl-1-(5-phenyl-1,2-oxazole-4-carbonyl)pyrrolidine-3-carboxamide (CID 143615411) is N-methyl-3-phenyl-1-(5-phenyl-1,2-oxazole-4-carbonyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-methyl-3-phenyl-1-(5-phenyl-1,2-oxazole-4-carbonyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-methyl-3-phenyl-1-(5-phenyl-1,2-oxazole-4-carbonyl)pyrrolidine-3-carboxamide is CNC(=O)C1(c2ccccc2)CCN(C(=O)c2cnoc2-c2ccccc2)C1.
What is the InChIKey of N-methyl-3-phenyl-1-(5-phenyl-1,2-oxazole-4-carbonyl)pyrrolidine-3-carboxamide?
The InChIKey is YWHDHZUYMOXELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-23-21(27)22(17-10-6-3-7-11-17)12-13-25(15-22)20(26)18-14-24-28-19(18)16-8-4-2-5-9-16/h2-11,14H,12-13,15H2,1H3,(H,23,27).
What are the key properties of N-methyl-3-phenyl-1-(5-phenyl-1,2-oxazole-4-carbonyl)pyrrolidine-3-carboxamide?
N-methyl-3-phenyl-1-(5-phenyl-1,2-oxazole-4-carbonyl)pyrrolidine-3-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-phenyl-1-(5-phenyl-1,2-oxazole-4-carbonyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 143615411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).