N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide

C19H23N3O4 — CID 77437771

IUPACN-(3-tert-butyl-1,2-oxazol-5-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
SMILESCOc1ccc(N2C(=O)CCC2C(=O)Nc2cc(C(C)(C)C)no2)cc1
InChIInChI=1S/C19H23N3O4/c1-19(2,3)15-11-16(26-21-15)20-18(24)14-9-10-17(23)22(14)12-5-7-13(25-4)8-6-12/h5-8,11,14H,9-10H2,1-4H3,(H,20,24)
InChIKeyKPQNUBWGEXPDQV-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.11
Rot. Bonds4

About N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide

N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 77437771) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1,2-oxazol-5-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID77437771
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC NameN-(3-tert-butyl-1,2-oxazol-5-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
SMILESCOc1ccc(N2C(=O)CCC2C(=O)Nc2cc(C(C)(C)C)no2)cc1
InChIInChI=1S/C19H23N3O4/c1-19(2,3)15-11-16(26-21-15)20-18(24)14-9-10-17(23)22(14)12-5-7-13(25-4)8-6-12/h5-8,11,14H,9-10H2,1-4H3,(H,20,24)
InChIKeyKPQNUBWGEXPDQV-UHFFFAOYSA-N
XLogP3.11
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 67953364
(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(3,5-difluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 67953390
(2R,3R)-N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 31455747
(2S)-1-(4-chlorophenyl)-N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-2-carboxamide
CID 67953379
N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(5-fluoro-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide
CID 77295214
(2S)-N-(3-butan-2-yl-1,2-oxazol-5-yl)-5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 67953420
N-(3-acetylphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110374202
(2S)-1-(4-chlorophenyl)-5-oxo-N-(3-propyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide
CID 46844062
N-(2,3-dimethylphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110374182
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(4-nitrosophenyl)-5-oxopyrrolidine-2-carboxamide
CID 89054318
(2S)-N-(3-tert-butyl-1,2-thiazol-5-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 67953375
(2S)-1-(4-chlorophenyl)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-5-oxopyrrolidine-2-carboxamide
CID 67953374

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide (CID 77437771) is N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide is COc1ccc(N2C(=O)CCC2C(=O)Nc2cc(C(C)(C)C)no2)cc1.
What is the InChIKey of N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is KPQNUBWGEXPDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-19(2,3)15-11-16(26-21-15)20-18(24)14-9-10-17(23)22(14)12-5-7-13(25-4)8-6-12/h5-8,11,14H,9-10H2,1-4H3,(H,20,24).
What are the key properties of N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide?
N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 77437771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).