methyl 3-[benzyl-(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoate

C21H22N2O4 — CID 55668286

IUPACmethyl 3-[benzyl-(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoate
SMILESCOC(=O)CCN(Cc1ccccc1)C(=O)C1CC(c2ccccc2)=NO1
InChIInChI=1S/C21H22N2O4/c1-26-20(24)12-13-23(15-16-8-4-2-5-9-16)21(25)19-14-18(22-27-19)17-10-6-3-7-11-17/h2-11,19H,12-15H2,1H3
InChIKeyOQZVUBWHOCYVOS-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.77
Rot. Bonds7

About methyl 3-[benzyl-(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoate

methyl 3-[benzyl-(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoate (PubChem CID 55668286) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is methyl 3-[benzyl-(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[benzyl-(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoate
PubChem CID55668286
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Namemethyl 3-[benzyl-(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoate
SMILESCOC(=O)CCN(Cc1ccccc1)C(=O)C1CC(c2ccccc2)=NO1
InChIInChI=1S/C21H22N2O4/c1-26-20(24)12-13-23(15-16-8-4-2-5-9-16)21(25)19-14-18(22-27-19)17-10-6-3-7-11-17/h2-11,19H,12-15H2,1H3
InChIKeyOQZVUBWHOCYVOS-UHFFFAOYSA-N
XLogP2.77
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3-[benzyl-(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoate 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

(5S)-N,N-dibenzyl-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 29095200
N-benzyl-3-(4-fluorophenyl)-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 6619660
N-benzyl-N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]cyclopropanecarboxamide
CID 42790227
N-(2-methoxyphenyl)-N-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 51121534
benzyl 3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 14998593
methyl 3-[benzyl-[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]propanoate
CID 55513092
3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid;hydrobromide
CID 162314316
ethyl 3-[cyclopropylmethyl-[(5S)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]propanoate
CID 95345309
methyl 3-[benzyl(cyclohexylcarbamoyl)amino]propanoate
CID 42697991
methyl 3-[benzyl-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate
CID 55514579
methyl 3-[benzyl-[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate
CID 55582309
2-methoxy-3-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 106107378

Frequently Asked Questions

What is the IUPAC name of methyl 3-[benzyl-(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-[benzyl-(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoate (CID 55668286) is methyl 3-[benzyl-(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-[benzyl-(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-[benzyl-(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoate is COC(=O)CCN(Cc1ccccc1)C(=O)C1CC(c2ccccc2)=NO1.
What is the InChIKey of methyl 3-[benzyl-(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoate?
The InChIKey is OQZVUBWHOCYVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-26-20(24)12-13-23(15-16-8-4-2-5-9-16)21(25)19-14-18(22-27-19)17-10-6-3-7-11-17/h2-11,19H,12-15H2,1H3.
What are the key properties of methyl 3-[benzyl-(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoate?
methyl 3-[benzyl-(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoate has a molecular weight of 366.42 g/mol, XLogP of 2.77, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[benzyl-(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoate is sourced from PubChem (CID 55668286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).