2-(2-aminophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-oxazole-4-carboxamide

C17H20N4O3 — CID 3871049

IUPAC2-(2-aminophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-oxazole-4-carboxamide
SMILESNc1ccccc1-c1nc(C(=O)NCCCN2CCCC2=O)co1
InChIInChI=1S/C17H20N4O3/c18-13-6-2-1-5-12(13)17-20-14(11-24-17)16(23)19-8-4-10-21-9-3-7-15(21)22/h1-2,5-6,11H,3-4,7-10,18H2,(H,19,23)
InChIKeyZPVFGYKHPNSSIJ-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.67
Rot. Bonds6

About 2-(2-aminophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-oxazole-4-carboxamide

2-(2-aminophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-oxazole-4-carboxamide (PubChem CID 3871049) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-(2-aminophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-oxazole-4-carboxamide
PubChem CID3871049
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name2-(2-aminophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-oxazole-4-carboxamide
SMILESNc1ccccc1-c1nc(C(=O)NCCCN2CCCC2=O)co1
InChIInChI=1S/C17H20N4O3/c18-13-6-2-1-5-12(13)17-20-14(11-24-17)16(23)19-8-4-10-21-9-3-7-15(21)22/h1-2,5-6,11H,3-4,7-10,18H2,(H,19,23)
InChIKeyZPVFGYKHPNSSIJ-UHFFFAOYSA-N
XLogP1.67
TPSA101.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-aminophenyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide
CID 3597832
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3870656
6-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-2-carboxamide
CID 62233313
2-(2-aminophenyl)-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
CID 3468332
6-morpholin-4-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-2-carboxamide
CID 117088866
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 72894736
N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 176776996
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide
CID 4787941
N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 117080691
6-amino-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 143798014
N-[3-(2-oxopyrrolidin-1-yl)propyl]-N'-phenyloxamide
CID 7541598
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 63048000

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(2-aminophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-oxazole-4-carboxamide (CID 3871049) is 2-(2-aminophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(2-aminophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-oxazole-4-carboxamide is Nc1ccccc1-c1nc(C(=O)NCCCN2CCCC2=O)co1.
What is the InChIKey of 2-(2-aminophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-oxazole-4-carboxamide?
The InChIKey is ZPVFGYKHPNSSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c18-13-6-2-1-5-12(13)17-20-14(11-24-17)16(23)19-8-4-10-21-9-3-7-15(21)22/h1-2,5-6,11H,3-4,7-10,18H2,(H,19,23).
What are the key properties of 2-(2-aminophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-oxazole-4-carboxamide?
2-(2-aminophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-oxazole-4-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3871049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).