methyl 3-phenyl-3-[(3-phenyl-2,1-benzoxazole-5-carbonyl)amino]propanoate

C24H20N2O4 — CID 24516885

IUPACmethyl 3-phenyl-3-[(3-phenyl-2,1-benzoxazole-5-carbonyl)amino]propanoate
SMILESCOC(=O)CC(NC(=O)c1ccc2noc(-c3ccccc3)c2c1)c1ccccc1
InChIInChI=1S/C24H20N2O4/c1-29-22(27)15-21(16-8-4-2-5-9-16)25-24(28)18-12-13-20-19(14-18)23(30-26-20)17-10-6-3-7-11-17/h2-14,21H,15H2,1H3,(H,25,28)
InChIKeyNXSGSIQCCMVFPM-UHFFFAOYSA-N
MW400.43 g/mol
LogP4.53
Rot. Bonds6

About methyl 3-phenyl-3-[(3-phenyl-2,1-benzoxazole-5-carbonyl)amino]propanoate

methyl 3-phenyl-3-[(3-phenyl-2,1-benzoxazole-5-carbonyl)amino]propanoate (PubChem CID 24516885) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is methyl 3-phenyl-3-[(3-phenyl-2,1-benzoxazole-5-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-phenyl-3-[(3-phenyl-2,1-benzoxazole-5-carbonyl)amino]propanoate
PubChem CID24516885
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Namemethyl 3-phenyl-3-[(3-phenyl-2,1-benzoxazole-5-carbonyl)amino]propanoate
SMILESCOC(=O)CC(NC(=O)c1ccc2noc(-c3ccccc3)c2c1)c1ccccc1
InChIInChI=1S/C24H20N2O4/c1-29-22(27)15-21(16-8-4-2-5-9-16)25-24(28)18-12-13-20-19(14-18)23(30-26-20)17-10-6-3-7-11-17/h2-14,21H,15H2,1H3,(H,25,28)
InChIKeyNXSGSIQCCMVFPM-UHFFFAOYSA-N
XLogP4.53
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-phenyl-3-[(3-phenyl-2,1-benzoxazole-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

methyl (2R)-4-methylsulfanyl-2-[(3-phenyl-2,1-benzoxazole-5-carbonyl)amino]butanoate
CID 9427242
(2S,3R)-3-hydroxy-2-[(3-phenyl-2,1-benzoxazole-5-carbonyl)amino]butanoic acid
CID 97263051
methyl (3R)-3-(1,3-benzodioxole-5-carbonylamino)-3-phenylpropanoate
CID 41099386
3-phenyl-N-prop-2-ynyl-2,1-benzoxazole-5-carboxamide
CID 18110112
N-[1-(4-methylsulfonylphenyl)ethyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 17478939
methyl (3R)-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate
CID 2054812
3-(4-methylphenyl)-N-(2-phenylpropyl)-2,1-benzoxazole-5-carboxamide
CID 22575656
methyl 3-[(4-tert-butylbenzoyl)amino]-3-phenylpropanoate
CID 46637564
methyl 3-(4-acetylphenyl)-3-benzamidopropanoate
CID 18797721
methyl 3-phenyl-3-[(3,4,5-triethoxybenzoyl)amino]propanoate
CID 46483385
N-(4-acetamidophenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 7465275
3-phenyl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-2,1-benzoxazole-5-carboxamide
CID 60555246

Frequently Asked Questions

What is the IUPAC name of methyl 3-phenyl-3-[(3-phenyl-2,1-benzoxazole-5-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-phenyl-3-[(3-phenyl-2,1-benzoxazole-5-carbonyl)amino]propanoate (CID 24516885) is methyl 3-phenyl-3-[(3-phenyl-2,1-benzoxazole-5-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-phenyl-3-[(3-phenyl-2,1-benzoxazole-5-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-phenyl-3-[(3-phenyl-2,1-benzoxazole-5-carbonyl)amino]propanoate is COC(=O)CC(NC(=O)c1ccc2noc(-c3ccccc3)c2c1)c1ccccc1.
What is the InChIKey of methyl 3-phenyl-3-[(3-phenyl-2,1-benzoxazole-5-carbonyl)amino]propanoate?
The InChIKey is NXSGSIQCCMVFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4/c1-29-22(27)15-21(16-8-4-2-5-9-16)25-24(28)18-12-13-20-19(14-18)23(30-26-20)17-10-6-3-7-11-17/h2-14,21H,15H2,1H3,(H,25,28).
What are the key properties of methyl 3-phenyl-3-[(3-phenyl-2,1-benzoxazole-5-carbonyl)amino]propanoate?
methyl 3-phenyl-3-[(3-phenyl-2,1-benzoxazole-5-carbonyl)amino]propanoate has a molecular weight of 400.43 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-phenyl-3-[(3-phenyl-2,1-benzoxazole-5-carbonyl)amino]propanoate is sourced from PubChem (CID 24516885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).