1-(4-hydroxyphenyl)-5-oxo-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidine-3-carboxamide

C21H19N3O4 — CID 131930496

IUPAC1-(4-hydroxyphenyl)-5-oxo-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1coc(-c2ccccc2)n1)C1CC(=O)N(c2ccc(O)cc2)C1
InChIInChI=1S/C21H19N3O4/c25-18-8-6-17(7-9-18)24-12-15(10-19(24)26)20(27)22-11-16-13-28-21(23-16)14-4-2-1-3-5-14/h1-9,13,15,25H,10-12H2,(H,22,27)
InChIKeyKXEJMMKTDAOWDX-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.72
Rot. Bonds5

About 1-(4-hydroxyphenyl)-5-oxo-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidine-3-carboxamide

1-(4-hydroxyphenyl)-5-oxo-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidine-3-carboxamide (PubChem CID 131930496) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-5-oxo-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-5-oxo-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidine-3-carboxamide
PubChem CID131930496
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name1-(4-hydroxyphenyl)-5-oxo-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCc1coc(-c2ccccc2)n1)C1CC(=O)N(c2ccc(O)cc2)C1
InChIInChI=1S/C21H19N3O4/c25-18-8-6-17(7-9-18)24-12-15(10-19(24)26)20(27)22-11-16-13-28-21(23-16)14-4-2-1-3-5-14/h1-9,13,15,25H,10-12H2,(H,22,27)
InChIKeyKXEJMMKTDAOWDX-UHFFFAOYSA-N
XLogP2.72
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(4-hydroxyphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 41468767
1-(4-hydroxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 74240649
(3S)-1-(4-methylphenyl)-5-oxo-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide
CID 42477859
2-[[1-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid
CID 82043433
(3S)-1-(4-hydroxyphenyl)-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 7248206
(3R)-1-(4-fluorophenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 7228556
N-benzyl-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2872612
(3R)-N-benzyl-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 754074
1-(4-methoxyphenyl)-5-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide
CID 55663749
N-benzyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2964408
1-(4-hydroxyphenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 2955573
(3S)-5-oxo-1-(4-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 93018322

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-5-oxo-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-hydroxyphenyl)-5-oxo-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidine-3-carboxamide (CID 131930496) is 1-(4-hydroxyphenyl)-5-oxo-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-hydroxyphenyl)-5-oxo-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-hydroxyphenyl)-5-oxo-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidine-3-carboxamide is O=C(NCc1coc(-c2ccccc2)n1)C1CC(=O)N(c2ccc(O)cc2)C1.
What is the InChIKey of 1-(4-hydroxyphenyl)-5-oxo-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is KXEJMMKTDAOWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c25-18-8-6-17(7-9-18)24-12-15(10-19(24)26)20(27)22-11-16-13-28-21(23-16)14-4-2-1-3-5-14/h1-9,13,15,25H,10-12H2,(H,22,27).
What are the key properties of 1-(4-hydroxyphenyl)-5-oxo-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidine-3-carboxamide?
1-(4-hydroxyphenyl)-5-oxo-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 377.40 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-5-oxo-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 131930496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).