4-amino-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide

C13H13N5O3 — CID 62688006

IUPAC4-amino-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)Nc1ccccc1N1CCCC1=O
InChIInChI=1S/C13H13N5O3/c14-12-11(16-21-17-12)13(20)15-8-4-1-2-5-9(8)18-7-3-6-10(18)19/h1-2,4-5H,3,6-7H2,(H2,14,17)(H,15,20)
InChIKeyNHLYKEUKNAQNKH-UHFFFAOYSA-N
MW287.28 g/mol
LogP1.03
Rot. Bonds3

About 4-amino-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide

4-amino-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 62688006) has the molecular formula C13H13N5O3 and a molecular weight of 287.28 g/mol. Its IUPAC name is 4-amino-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide
PubChem CID62688006
Molecular FormulaC13H13N5O3
Molecular Weight287.28 g/mol
Exact Mass287.10
IUPAC Name4-amino-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)Nc1ccccc1N1CCCC1=O
InChIInChI=1S/C13H13N5O3/c14-12-11(16-21-17-12)13(20)15-8-4-1-2-5-9(8)18-7-3-6-10(18)19/h1-2,4-5H,3,6-7H2,(H2,14,17)(H,15,20)
InChIKeyNHLYKEUKNAQNKH-UHFFFAOYSA-N
XLogP1.03
TPSA114.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(2-morpholin-4-ylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62687967
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 26955394
4-amino-N-(2-carbamoylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62688483
4-chloro-2-fluoro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 17499343
2-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 46616352
N-[2-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarboxamide
CID 18166596
2,5-dichloro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 26709772
5-bromo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]thiophene-3-carboxamide
CID 39638037
2-(aminomethyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119693892
2-(2-aminoethyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 120618775
2-(methylamino)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride
CID 119693883
(2R)-2-amino-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pentanamide
CID 103794249

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide (CID 62688006) is 4-amino-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide is Nc1nonc1C(=O)Nc1ccccc1N1CCCC1=O.
What is the InChIKey of 4-amino-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is NHLYKEUKNAQNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O3/c14-12-11(16-21-17-12)13(20)15-8-4-1-2-5-9(8)18-7-3-6-10(18)19/h1-2,4-5H,3,6-7H2,(H2,14,17)(H,15,20).
What are the key properties of 4-amino-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 287.28 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 62688006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).