N-[(2-ethoxyphenyl)methyl]-5-[2-[ethyl(phenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide

C28H27N3O4 — CID 53122934

IUPACN-[(2-ethoxyphenyl)methyl]-5-[2-[ethyl(phenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide
SMILESCCOc1ccccc1CNC(=O)c1ncoc1-c1ccccc1C(=O)N(CC)c1ccccc1
InChIInChI=1S/C28H27N3O4/c1-3-31(21-13-6-5-7-14-21)28(33)23-16-10-9-15-22(23)26-25(30-19-35-26)27(32)29-18-20-12-8-11-17-24(20)34-4-2/h5-17,19H,3-4,18H2,1-2H3,(H,29,32)
InChIKeyHOJLLRRTWRNEEG-UHFFFAOYSA-N
MW469.54 g/mol
LogP5.34
Rot. Bonds9

About N-[(2-ethoxyphenyl)methyl]-5-[2-[ethyl(phenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide

N-[(2-ethoxyphenyl)methyl]-5-[2-[ethyl(phenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 53122934) has the molecular formula C28H27N3O4 and a molecular weight of 469.54 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-5-[2-[ethyl(phenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-5-[2-[ethyl(phenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide
PubChem CID53122934
Molecular FormulaC28H27N3O4
Molecular Weight469.54 g/mol
Exact Mass469.20
IUPAC NameN-[(2-ethoxyphenyl)methyl]-5-[2-[ethyl(phenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide
SMILESCCOc1ccccc1CNC(=O)c1ncoc1-c1ccccc1C(=O)N(CC)c1ccccc1
InChIInChI=1S/C28H27N3O4/c1-3-31(21-13-6-5-7-14-21)28(33)23-16-10-9-15-22(23)26-25(30-19-35-26)27(32)29-18-20-12-8-11-17-24(20)34-4-2/h5-17,19H,3-4,18H2,1-2H3,(H,29,32)
InChIKeyHOJLLRRTWRNEEG-UHFFFAOYSA-N
XLogP5.34
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.54
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze N-[(2-ethoxyphenyl)methyl]-5-[2-[ethyl(phenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-chloro-4-fluorophenyl)methyl]-5-[2-[ethyl(phenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide
CID 53122936
5-[2-[ethyl(phenyl)carbamoyl]phenyl]-N-[(4-propan-2-yloxyphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 53122944
N-cyclopentyl-5-[2-[ethyl(phenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide
CID 53122915
N-[(2-ethoxyphenyl)methyl]-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963591
N-[2-(cyclohexen-1-yl)ethyl]-5-[2-[ethyl(phenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide
CID 53122930
2-amino-N-[(2-ethoxyphenyl)methyl]benzamide
CID 134085720
6-N-ethyl-2-N-[(2-methoxyphenyl)methyl]-6-N-phenylpyridine-2,6-dicarboxamide
CID 109097988
N-[(2-ethoxyphenyl)methyl]furan-2-carboxamide
CID 28635209
2-amino-N-[(2-ethoxyphenyl)methyl]pyridine-3-carboxamide
CID 53334706
2-ethoxy-N-ethyl-N-(4-fluorophenyl)benzamide
CID 60592425
N-[(2-fluorophenyl)methyl]-5-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide
CID 53122805
2-(2-aminophenyl)-N-[(2-ethoxyphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 5006646

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-5-[2-[ethyl(phenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-5-[2-[ethyl(phenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide (CID 53122934) is N-[(2-ethoxyphenyl)methyl]-5-[2-[ethyl(phenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-5-[2-[ethyl(phenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-5-[2-[ethyl(phenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide is CCOc1ccccc1CNC(=O)c1ncoc1-c1ccccc1C(=O)N(CC)c1ccccc1.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-5-[2-[ethyl(phenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is HOJLLRRTWRNEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O4/c1-3-31(21-13-6-5-7-14-21)28(33)23-16-10-9-15-22(23)26-25(30-19-35-26)27(32)29-18-20-12-8-11-17-24(20)34-4-2/h5-17,19H,3-4,18H2,1-2H3,(H,29,32).
What are the key properties of N-[(2-ethoxyphenyl)methyl]-5-[2-[ethyl(phenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide?
N-[(2-ethoxyphenyl)methyl]-5-[2-[ethyl(phenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 469.54 g/mol, XLogP of 5.34, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-5-[2-[ethyl(phenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 53122934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).