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

C21H21N3O4 — CID 60532703

IUPACN-[2-[(4-methoxybenzoyl)amino]ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(C(=O)NCCNC(=O)c2c(-c3ccccc3)noc2C)cc1
InChIInChI=1S/C21H21N3O4/c1-14-18(19(24-28-14)15-6-4-3-5-7-15)21(26)23-13-12-22-20(25)16-8-10-17(27-2)11-9-16/h3-11H,12-13H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyMWFWDNSFQNJMCH-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.82
Rot. Bonds7

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

N-[2-[(4-methoxybenzoyl)amino]ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 60532703) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[2-[(4-methoxybenzoyl)amino]ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-methoxybenzoyl)amino]ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID60532703
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC NameN-[2-[(4-methoxybenzoyl)amino]ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(C(=O)NCCNC(=O)c2c(-c3ccccc3)noc2C)cc1
InChIInChI=1S/C21H21N3O4/c1-14-18(19(24-28-14)15-6-4-3-5-7-15)21(26)23-13-12-22-20(25)16-8-10-17(27-2)11-9-16/h3-11H,12-13H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyMWFWDNSFQNJMCH-UHFFFAOYSA-N
XLogP2.82
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-[(4-methoxybenzoyl)amino]ethyl]-5-methyl-3-phenyl-1,2-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-[1-(4-methoxyphenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 17330097
5-methyl-3-phenyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]-1,2-oxazole-4-carboxamide
CID 33157326
N-[2-(4-chlorophenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2078310
N-[2-(4-fluorophenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 831462
5-methyl-3-phenyl-N-[5-[(2-sulfanylacetyl)amino]pentyl]-1,2-oxazole-4-carboxamide
CID 57328394
5-methyl-3-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]-1,2-oxazole-4-carboxamide
CID 134054985
2,2-dimethyl-3-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]propanoic acid
CID 119249512
5-methyl-3-phenyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]-1,2-oxazole-4-carboxamide
CID 9472032
N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 135411416
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
CID 108537787
N-[(1,5-dimethylpyrrol-2-yl)methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 17423337
N-[2-[[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetyl]amino]ethyl]benzamide
CID 110630603

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methoxybenzoyl)amino]ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-[(4-methoxybenzoyl)amino]ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 60532703) is N-[2-[(4-methoxybenzoyl)amino]ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-[(4-methoxybenzoyl)amino]ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-[(4-methoxybenzoyl)amino]ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is COc1ccc(C(=O)NCCNC(=O)c2c(-c3ccccc3)noc2C)cc1.
What is the InChIKey of N-[2-[(4-methoxybenzoyl)amino]ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is MWFWDNSFQNJMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-14-18(19(24-28-14)15-6-4-3-5-7-15)21(26)23-13-12-22-20(25)16-8-10-17(27-2)11-9-16/h3-11H,12-13H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-[2-[(4-methoxybenzoyl)amino]ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-[2-[(4-methoxybenzoyl)amino]ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methoxybenzoyl)amino]ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 60532703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).