2-(2-aminophenyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide

C16H17N5O2 — CID 3597832

IUPAC2-(2-aminophenyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide
SMILESNc1ccccc1-c1nc(C(=O)NCCCn2ccnc2)co1
InChIInChI=1S/C16H17N5O2/c17-13-5-2-1-4-12(13)16-20-14(10-23-16)15(22)19-6-3-8-21-9-7-18-11-21/h1-2,4-5,7,9-11H,3,6,8,17H2,(H,19,22)
InChIKeyPQUKWQDMGZEUDM-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.94
Rot. Bonds6

About 2-(2-aminophenyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide

2-(2-aminophenyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide (PubChem CID 3597832) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 2-(2-aminophenyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminophenyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide
PubChem CID3597832
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name2-(2-aminophenyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide
SMILESNc1ccccc1-c1nc(C(=O)NCCCn2ccnc2)co1
InChIInChI=1S/C16H17N5O2/c17-13-5-2-1-4-12(13)16-20-14(10-23-16)15(22)19-6-3-8-21-9-7-18-11-21/h1-2,4-5,7,9-11H,3,6,8,17H2,(H,19,22)
InChIKeyPQUKWQDMGZEUDM-UHFFFAOYSA-N
XLogP1.94
TPSA98.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 30403008
2-(2-aminophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-oxazole-4-carboxamide
CID 3871049
2-(1-aminopropyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide
CID 3825683
2-(1-amino-3-methylbutyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide
CID 3585647
6-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide
CID 113323370
6-hydrazinyl-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
CID 62248208
2-amino-N-(3-imidazol-1-ylpropyl)-6-methoxybenzamide
CID 81420626
N-(3-imidazol-1-ylpropyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 51328577
3-(2-aminophenyl)-N-(3-imidazol-1-ylpropyl)propanamide
CID 43309055
4-amino-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide
CID 28993545
5-ethyl-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide
CID 47027033
2-(2-aminophenyl)-N-(4-ethylphenyl)-1,3-oxazole-4-carboxamide
CID 3674009

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(2-aminophenyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide (CID 3597832) is 2-(2-aminophenyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminophenyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(2-aminophenyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide is Nc1ccccc1-c1nc(C(=O)NCCCn2ccnc2)co1.
What is the InChIKey of 2-(2-aminophenyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide?
The InChIKey is PQUKWQDMGZEUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c17-13-5-2-1-4-12(13)16-20-14(10-23-16)15(22)19-6-3-8-21-9-7-18-11-21/h1-2,4-5,7,9-11H,3,6,8,17H2,(H,19,22).
What are the key properties of 2-(2-aminophenyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide?
2-(2-aminophenyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide has a molecular weight of 311.35 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3597832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).