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

C14H15N3O3 — CID 108945355

IUPACN-benzyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
SMILESCc1cc(NC(=O)CC(=O)NCc2ccccc2)no1
InChIInChI=1S/C14H15N3O3/c1-10-7-12(17-20-10)16-14(19)8-13(18)15-9-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3,(H,15,18)(H,16,17,19)
InChIKeyRLDSFJIWWAMZNT-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.63
Rot. Bonds5

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

N-benzyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide (PubChem CID 108945355) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-benzyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide.

Molecular Properties

Compound NameN-benzyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
PubChem CID108945355
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-benzyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
SMILESCc1cc(NC(=O)CC(=O)NCc2ccccc2)no1
InChIInChI=1S/C14H15N3O3/c1-10-7-12(17-20-10)16-14(19)8-13(18)15-9-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3,(H,15,18)(H,16,17,19)
InChIKeyRLDSFJIWWAMZNT-UHFFFAOYSA-N
XLogP1.63
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-N-benzyl-5-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3,5-dicarboxamide
CID 109105083
1-(5-methyl-1,2-oxazol-3-yl)-3-[(4-methylphenyl)methyl]urea
CID 47125787
N'-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylphenyl)methyl]oxamide
CID 44996026
N-benzyl-N'-(3,5-dimethylphenyl)propanediamide
CID 50949014
N-benzyl-2-[(R)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]acetamide
CID 95326812
N-[(4-methoxyphenyl)methyl]-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide
CID 3153701
N-[2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 110671903
N-(3-acetamidophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108956261
N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 569560
N-[(4-fluorophenyl)methyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]acetamide
CID 108997916
6-(benzylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109346618
3-[acetyl-(5-methyl-1,2-oxazol-3-yl)amino]-N-benzylpropanamide
CID 113135674

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide?
The IUPAC name of N-benzyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide (CID 108945355) is N-benzyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide.
What is the SMILES notation for N-benzyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide?
The canonical SMILES for N-benzyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide is Cc1cc(NC(=O)CC(=O)NCc2ccccc2)no1.
What is the InChIKey of N-benzyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide?
The InChIKey is RLDSFJIWWAMZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-10-7-12(17-20-10)16-14(19)8-13(18)15-9-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3,(H,15,18)(H,16,17,19).
What are the key properties of N-benzyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide?
N-benzyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide has a molecular weight of 273.29 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide is sourced from PubChem (CID 108945355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).