N-(3-acetamidophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide

C15H16N4O4 — CID 108956261

IUPACN-(3-acetamidophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
SMILESCC(=O)Nc1cccc(NC(=O)CC(=O)Nc2cc(C)on2)c1
InChIInChI=1S/C15H16N4O4/c1-9-6-13(19-23-9)18-15(22)8-14(21)17-12-5-3-4-11(7-12)16-10(2)20/h3-7H,8H2,1-2H3,(H,16,20)(H,17,21)(H,18,19,22)
InChIKeyFZBZAKIYCXFSSV-UHFFFAOYSA-N
MW316.32 g/mol
LogP1.91
Rot. Bonds5

About N-(3-acetamidophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide

N-(3-acetamidophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide (PubChem CID 108956261) has the molecular formula C15H16N4O4 and a molecular weight of 316.32 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
PubChem CID108956261
Molecular FormulaC15H16N4O4
Molecular Weight316.32 g/mol
Exact Mass316.12
IUPAC NameN-(3-acetamidophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
SMILESCC(=O)Nc1cccc(NC(=O)CC(=O)Nc2cc(C)on2)c1
InChIInChI=1S/C15H16N4O4/c1-9-6-13(19-23-9)18-15(22)8-14(21)17-12-5-3-4-11(7-12)16-10(2)20/h3-7H,8H2,1-2H3,(H,16,20)(H,17,21)(H,18,19,22)
InChIKeyFZBZAKIYCXFSSV-UHFFFAOYSA-N
XLogP1.91
TPSA113.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[3-(phenylcarbamoylamino)phenyl]acetamide
CID 46553294
N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108955334
6-(3-acetamidoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109359437
N'-(5-methyl-1,2-oxazol-3-yl)-N-(3-methylphenyl)oxamide
CID 44996030
N-(4-cyanophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108956954
2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-phenylacetamide
CID 51282195
N-benzyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108945355
N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]acetamide
CID 112990326
5-methyl-N-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]-1,2-oxazole-3-carboxamide
CID 58725196
2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 109009780
N-(3-chlorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 47204376
N-(3-ethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 36854994

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide?
The IUPAC name of N-(3-acetamidophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide (CID 108956261) is N-(3-acetamidophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide.
What is the SMILES notation for N-(3-acetamidophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide?
The canonical SMILES for N-(3-acetamidophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide is CC(=O)Nc1cccc(NC(=O)CC(=O)Nc2cc(C)on2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide?
The InChIKey is FZBZAKIYCXFSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O4/c1-9-6-13(19-23-9)18-15(22)8-14(21)17-12-5-3-4-11(7-12)16-10(2)20/h3-7H,8H2,1-2H3,(H,16,20)(H,17,21)(H,18,19,22).
What are the key properties of N-(3-acetamidophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide?
N-(3-acetamidophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide has a molecular weight of 316.32 g/mol, XLogP of 1.91, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide is sourced from PubChem (CID 108956261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).