N-(3-amino-3-oxopropyl)-N-benzyl-5-phenyl-1,2-oxazole-3-carboxamide

C20H19N3O3 — CID 56810430

IUPACN-(3-amino-3-oxopropyl)-N-benzyl-5-phenyl-1,2-oxazole-3-carboxamide
SMILESNC(=O)CCN(Cc1ccccc1)C(=O)c1cc(-c2ccccc2)on1
InChIInChI=1S/C20H19N3O3/c21-19(24)11-12-23(14-15-7-3-1-4-8-15)20(25)17-13-18(26-22-17)16-9-5-2-6-10-16/h1-10,13H,11-12,14H2,(H2,21,24)
InChIKeyJKOUBRGZUHJVKD-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.86
Rot. Bonds7

About N-(3-amino-3-oxopropyl)-N-benzyl-5-phenyl-1,2-oxazole-3-carboxamide

N-(3-amino-3-oxopropyl)-N-benzyl-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 56810430) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-N-benzyl-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-N-benzyl-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID56810430
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN-(3-amino-3-oxopropyl)-N-benzyl-5-phenyl-1,2-oxazole-3-carboxamide
SMILESNC(=O)CCN(Cc1ccccc1)C(=O)c1cc(-c2ccccc2)on1
InChIInChI=1S/C20H19N3O3/c21-19(24)11-12-23(14-15-7-3-1-4-8-15)20(25)17-13-18(26-22-17)16-9-5-2-6-10-16/h1-10,13H,11-12,14H2,(H2,21,24)
InChIKeyJKOUBRGZUHJVKD-UHFFFAOYSA-N
XLogP2.86
TPSA89.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,4-N-bis(3-amino-3-oxopropyl)-1-N,4-N-dibenzylbenzene-1,4-dicarboxamide
CID 28642997
N-[(4-cyanophenyl)methyl]-5-phenyl-N-propyl-1,2-oxazole-3-carboxamide
CID 134023402
N-(3-amino-3-oxopropyl)-N-benzyl-1,2,5-thiadiazole-3-carboxamide
CID 47350587
N-(3-amino-3-oxopropyl)-N-benzyl-1,3-thiazole-4-carboxamide
CID 63048716
N-benzyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51069903
N-(3-amino-3-oxopropyl)-N-benzyl-3,5-dichlorobenzamide
CID 28642575
1,1-dibenzyl-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812654
N-[(4-ethylphenyl)methyl]-N-methyl-5-phenyl-1,2-oxazole-3-carboxamide
CID 39428449
N-(3-amino-3-oxopropyl)-N-benzyl-2-chlorobenzamide
CID 28642307
N-benzyl-N-(2-bromoethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 80661970
N-(3-amino-3-oxopropyl)-N-benzyl-2-ethyl-5-methylpyrazole-3-carboxamide
CID 60619816
N-(3-amino-3-oxopropyl)-N-benzyl-2-iodobenzamide
CID 28642305

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-N-benzyl-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-N-benzyl-5-phenyl-1,2-oxazole-3-carboxamide (CID 56810430) is N-(3-amino-3-oxopropyl)-N-benzyl-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-N-benzyl-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-N-benzyl-5-phenyl-1,2-oxazole-3-carboxamide is NC(=O)CCN(Cc1ccccc1)C(=O)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-(3-amino-3-oxopropyl)-N-benzyl-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is JKOUBRGZUHJVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c21-19(24)11-12-23(14-15-7-3-1-4-8-15)20(25)17-13-18(26-22-17)16-9-5-2-6-10-16/h1-10,13H,11-12,14H2,(H2,21,24).
What are the key properties of N-(3-amino-3-oxopropyl)-N-benzyl-5-phenyl-1,2-oxazole-3-carboxamide?
N-(3-amino-3-oxopropyl)-N-benzyl-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-N-benzyl-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 56810430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).