N-(2-methyl-1,3-benzoxazol-5-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

C21H21N3O3 — CID 51187342

IUPACN-(2-methyl-1,3-benzoxazol-5-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCc1nc2cc(NC(=O)C3CC(=O)N(CCc4ccccc4)C3)ccc2o1
InChIInChI=1S/C21H21N3O3/c1-14-22-18-12-17(7-8-19(18)27-14)23-21(26)16-11-20(25)24(13-16)10-9-15-5-3-2-4-6-15/h2-8,12,16H,9-11,13H2,1H3,(H,23,26)
InChIKeyYHZUDRHUJAMTCP-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.17
Rot. Bonds5

About N-(2-methyl-1,3-benzoxazol-5-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

N-(2-methyl-1,3-benzoxazol-5-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (PubChem CID 51187342) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzoxazol-5-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzoxazol-5-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
PubChem CID51187342
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-(2-methyl-1,3-benzoxazol-5-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCc1nc2cc(NC(=O)C3CC(=O)N(CCc4ccccc4)C3)ccc2o1
InChIInChI=1S/C21H21N3O3/c1-14-22-18-12-17(7-8-19(18)27-14)23-21(26)16-11-20(25)24(13-16)10-9-15-5-3-2-4-6-15/h2-8,12,16H,9-11,13H2,1H3,(H,23,26)
InChIKeyYHZUDRHUJAMTCP-UHFFFAOYSA-N
XLogP3.17
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-5-oxo-N-(2-oxochromen-6-yl)-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51965283
N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 22051514
N-(4-acetamidophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 42997175
N-(3,4-dimethoxyphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 46797618
(3S)-N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 92736433
(3S)-1-(2-methyl-1,3-benzoxazol-5-yl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 95098992
(3S)-N-(4-fluorophenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 9100479
N-[3-[(dimethylamino)methyl]phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 86931938
(3R)-5-oxo-1-(2-phenylethyl)-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 26085822
N-(6-methoxy-3-pyridinyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51143040
(3S)-N-[3-(methylcarbamoyl)phenyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51881813
N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 16549275

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzoxazol-5-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-methyl-1,3-benzoxazol-5-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (CID 51187342) is N-(2-methyl-1,3-benzoxazol-5-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-methyl-1,3-benzoxazol-5-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-methyl-1,3-benzoxazol-5-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is Cc1nc2cc(NC(=O)C3CC(=O)N(CCc4ccccc4)C3)ccc2o1.
What is the InChIKey of N-(2-methyl-1,3-benzoxazol-5-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The InChIKey is YHZUDRHUJAMTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-14-22-18-12-17(7-8-19(18)27-14)23-21(26)16-11-20(25)24(13-16)10-9-15-5-3-2-4-6-15/h2-8,12,16H,9-11,13H2,1H3,(H,23,26).
What are the key properties of N-(2-methyl-1,3-benzoxazol-5-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
N-(2-methyl-1,3-benzoxazol-5-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzoxazol-5-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 51187342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).