N-(2-aminophenyl)-4-[[formyl(1,2-oxazol-5-yl)amino]methyl]benzamide

C18H16N4O3 — CID 87384730

IUPACN-(2-aminophenyl)-4-[[formyl(1,2-oxazol-5-yl)amino]methyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(CN(C=O)c2ccno2)cc1
InChIInChI=1S/C18H16N4O3/c19-15-3-1-2-4-16(15)21-18(24)14-7-5-13(6-8-14)11-22(12-23)17-9-10-20-25-17/h1-10,12H,11,19H2,(H,21,24)
InChIKeyYIWRMHPMOHBTIP-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.67
Rot. Bonds6

About N-(2-aminophenyl)-4-[[formyl(1,2-oxazol-5-yl)amino]methyl]benzamide

N-(2-aminophenyl)-4-[[formyl(1,2-oxazol-5-yl)amino]methyl]benzamide (PubChem CID 87384730) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[[formyl(1,2-oxazol-5-yl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[[formyl(1,2-oxazol-5-yl)amino]methyl]benzamide
PubChem CID87384730
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC NameN-(2-aminophenyl)-4-[[formyl(1,2-oxazol-5-yl)amino]methyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(CN(C=O)c2ccno2)cc1
InChIInChI=1S/C18H16N4O3/c19-15-3-1-2-4-16(15)21-18(24)14-7-5-13(6-8-14)11-22(12-23)17-9-10-20-25-17/h1-10,12H,11,19H2,(H,21,24)
InChIKeyYIWRMHPMOHBTIP-UHFFFAOYSA-N
XLogP2.67
TPSA101.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-4-[[formyl(pyridin-3-ylmethoxy)amino]methyl]benzamide;hydrochloride
CID 87384192
N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-(pyridin-3-ylmethyl)carbamate
CID 57350010
N-(2-aminophenyl)-4-[[2-hydroxyethyl(pyridin-3-ylmethyl)amino]methyl]benzamide
CID 11494562
N-(2-aminophenyl)-4-[[formyl-[(2-methyl-3-pyridinyl)methoxy]amino]methyl]benzamide
CID 87384844
4-[(N-acetylanilino)methyl]-N-(2-aminophenyl)benzamide
CID 11417056
methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-pyrazin-2-ylcarbamate
CID 68850955
N-(2-aminophenyl)-4-(2,2-dimethylpropyl)benzamide
CID 58916411
4-[(2-aminophenyl)carbamoyl]benzoic acid
CID 61408098
methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-pyridin-3-ylcarbamate;sulfuric acid
CID 68850450
1-N-(2-aminophenyl)-4-N-benzyl-4-N-(2-hydroxyethyl)benzene-1,4-dicarboxamide
CID 25052283
N-(2-aminophenyl)-4-(pyrrol-1-ylmethyl)benzamide
CID 174854495
methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate;pyridine
CID 174424077

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[[formyl(1,2-oxazol-5-yl)amino]methyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[[formyl(1,2-oxazol-5-yl)amino]methyl]benzamide (CID 87384730) is N-(2-aminophenyl)-4-[[formyl(1,2-oxazol-5-yl)amino]methyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[[formyl(1,2-oxazol-5-yl)amino]methyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[[formyl(1,2-oxazol-5-yl)amino]methyl]benzamide is Nc1ccccc1NC(=O)c1ccc(CN(C=O)c2ccno2)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[[formyl(1,2-oxazol-5-yl)amino]methyl]benzamide?
The InChIKey is YIWRMHPMOHBTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c19-15-3-1-2-4-16(15)21-18(24)14-7-5-13(6-8-14)11-22(12-23)17-9-10-20-25-17/h1-10,12H,11,19H2,(H,21,24).
What are the key properties of N-(2-aminophenyl)-4-[[formyl(1,2-oxazol-5-yl)amino]methyl]benzamide?
N-(2-aminophenyl)-4-[[formyl(1,2-oxazol-5-yl)amino]methyl]benzamide has a molecular weight of 336.35 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[[formyl(1,2-oxazol-5-yl)amino]methyl]benzamide is sourced from PubChem (CID 87384730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).