N-(2-acetamidoethyl)-4-phenyl-1,3-oxazole-5-carboxamide

C14H15N3O3 — CID 110689386

IUPACN-(2-acetamidoethyl)-4-phenyl-1,3-oxazole-5-carboxamide
SMILESCC(=O)NCCNC(=O)c1ocnc1-c1ccccc1
InChIInChI=1S/C14H15N3O3/c1-10(18)15-7-8-16-14(19)13-12(17-9-20-13)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,15,18)(H,16,19)
InChIKeyLGRWLZHHLBDVIJ-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.21
Rot. Bonds5

About N-(2-acetamidoethyl)-4-phenyl-1,3-oxazole-5-carboxamide

N-(2-acetamidoethyl)-4-phenyl-1,3-oxazole-5-carboxamide (PubChem CID 110689386) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-4-phenyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-4-phenyl-1,3-oxazole-5-carboxamide
PubChem CID110689386
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-(2-acetamidoethyl)-4-phenyl-1,3-oxazole-5-carboxamide
SMILESCC(=O)NCCNC(=O)c1ocnc1-c1ccccc1
InChIInChI=1S/C14H15N3O3/c1-10(18)15-7-8-16-14(19)13-12(17-9-20-13)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,15,18)(H,16,19)
InChIKeyLGRWLZHHLBDVIJ-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-pentyl-4-phenyl-1,3-oxazole-5-carboxamide
CID 110689389
4-phenyl-N-(2-thiophen-2-ylethyl)-1,3-oxazole-5-carboxamide
CID 110689356
N-(4-acetamidophenyl)-4-phenyl-1,3-oxazole-5-carboxamide
CID 110689420
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-phenyl-1,3-oxazole-5-carboxamide
CID 166339033
N-(3-acetamidopropyl)-4-phenylbenzamide
CID 38450168
2-[(5-phenyl-1,3-oxazole-4-carbonyl)amino]ethylcarbamic acid
CID 67884067
N-(2-acetamidoethyl)-3-amino-6-phenylpyrazine-2-carboxamide
CID 10402476
N-(2-acetamidoethyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 70725726
N-[2-(4-phenylanilino)ethyl]acetamide
CID 103604100
N-(2-acetamidoethyl)-2-phenylquinoline-4-carboxamide
CID 8991025
N-(2-benzamidoethyl)-2-phenylpyrimidine-5-carboxamide
CID 47781848
N-[2-[5-(2-methylsulfanylethyl)-4-phenylimidazol-1-yl]ethyl]acetamide
CID 50975089

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-4-phenyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-4-phenyl-1,3-oxazole-5-carboxamide (CID 110689386) is N-(2-acetamidoethyl)-4-phenyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-4-phenyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-4-phenyl-1,3-oxazole-5-carboxamide is CC(=O)NCCNC(=O)c1ocnc1-c1ccccc1.
What is the InChIKey of N-(2-acetamidoethyl)-4-phenyl-1,3-oxazole-5-carboxamide?
The InChIKey is LGRWLZHHLBDVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-10(18)15-7-8-16-14(19)13-12(17-9-20-13)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,15,18)(H,16,19).
What are the key properties of N-(2-acetamidoethyl)-4-phenyl-1,3-oxazole-5-carboxamide?
N-(2-acetamidoethyl)-4-phenyl-1,3-oxazole-5-carboxamide has a molecular weight of 273.29 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-4-phenyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 110689386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).