N-(2-amino-2-oxoethyl)-4-[(3-phenyl-1,2-oxazol-5-yl)methylamino]benzamide

C19H18N4O3 — CID 167895771

IUPACN-(2-amino-2-oxoethyl)-4-[(3-phenyl-1,2-oxazol-5-yl)methylamino]benzamide
SMILESNC(=O)CNC(=O)c1ccc(NCc2cc(-c3ccccc3)no2)cc1
InChIInChI=1S/C19H18N4O3/c20-18(24)12-22-19(25)14-6-8-15(9-7-14)21-11-16-10-17(23-26-16)13-4-2-1-3-5-13/h1-10,21H,11-12H2,(H2,20,24)(H,22,25)
InChIKeyRFCMHVOJRYMIJT-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.17
Rot. Bonds7

About N-(2-amino-2-oxoethyl)-4-[(3-phenyl-1,2-oxazol-5-yl)methylamino]benzamide

N-(2-amino-2-oxoethyl)-4-[(3-phenyl-1,2-oxazol-5-yl)methylamino]benzamide (PubChem CID 167895771) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-4-[(3-phenyl-1,2-oxazol-5-yl)methylamino]benzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-4-[(3-phenyl-1,2-oxazol-5-yl)methylamino]benzamide
PubChem CID167895771
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC NameN-(2-amino-2-oxoethyl)-4-[(3-phenyl-1,2-oxazol-5-yl)methylamino]benzamide
SMILESNC(=O)CNC(=O)c1ccc(NCc2cc(-c3ccccc3)no2)cc1
InChIInChI=1S/C19H18N4O3/c20-18(24)12-22-19(25)14-6-8-15(9-7-14)21-11-16-10-17(23-26-16)13-4-2-1-3-5-13/h1-10,21H,11-12H2,(H2,20,24)(H,22,25)
InChIKeyRFCMHVOJRYMIJT-UHFFFAOYSA-N
XLogP2.17
TPSA110.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (E)-3-[4-[(3-phenyl-1,2-oxazol-5-yl)methylamino]phenyl]prop-2-enoate
CID 86919307
(3-phenyl-1,2-oxazol-5-yl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55474493
N-(2-amino-2-oxoethyl)-4-pyridin-2-ylbenzamide
CID 110473912
N-[(3-phenyl-1,2-oxazol-5-yl)methyl]naphthalene-1-carboxamide
CID 71895813
1-tert-butyl-5-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxamide
CID 47056333
1-[4-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methylamino]phenyl]butan-1-one
CID 68723925
2-[(3-phenyl-1,2-oxazol-5-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977205
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3-phenylfuran-2-carboxamide
CID 46494251
N-(2-amino-2-oxoethyl)-4-iodobenzamide
CID 60668486
5-[(4-iodoanilino)methyl]-1,2-oxazole-3-carboxylic acid
CID 103236781
N-[(4-phenoxyphenyl)methyl]-4-[5-[[3-[4-[(4-phenoxyphenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazol-3-yl]aniline
CID 142762897
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 46494617

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-4-[(3-phenyl-1,2-oxazol-5-yl)methylamino]benzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-4-[(3-phenyl-1,2-oxazol-5-yl)methylamino]benzamide (CID 167895771) is N-(2-amino-2-oxoethyl)-4-[(3-phenyl-1,2-oxazol-5-yl)methylamino]benzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-4-[(3-phenyl-1,2-oxazol-5-yl)methylamino]benzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-4-[(3-phenyl-1,2-oxazol-5-yl)methylamino]benzamide is NC(=O)CNC(=O)c1ccc(NCc2cc(-c3ccccc3)no2)cc1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-4-[(3-phenyl-1,2-oxazol-5-yl)methylamino]benzamide?
The InChIKey is RFCMHVOJRYMIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c20-18(24)12-22-19(25)14-6-8-15(9-7-14)21-11-16-10-17(23-26-16)13-4-2-1-3-5-13/h1-10,21H,11-12H2,(H2,20,24)(H,22,25).
What are the key properties of N-(2-amino-2-oxoethyl)-4-[(3-phenyl-1,2-oxazol-5-yl)methylamino]benzamide?
N-(2-amino-2-oxoethyl)-4-[(3-phenyl-1,2-oxazol-5-yl)methylamino]benzamide has a molecular weight of 350.38 g/mol, XLogP of 2.17, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-4-[(3-phenyl-1,2-oxazol-5-yl)methylamino]benzamide is sourced from PubChem (CID 167895771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).