methyl 4-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]benzoate

C21H20N2O4 — CID 38886699

IUPACmethyl 4-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)CCCc2ncc(-c3ccccc3)o2)cc1
InChIInChI=1S/C21H20N2O4/c1-26-21(25)16-10-12-17(13-11-16)23-19(24)8-5-9-20-22-14-18(27-20)15-6-3-2-4-7-15/h2-4,6-7,10-14H,5,8-9H2,1H3,(H,23,24)
InChIKeyUSARWIZDOAOXPT-UHFFFAOYSA-N
MW364.40 g/mol
LogP4.09
Rot. Bonds7

About methyl 4-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]benzoate

methyl 4-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]benzoate (PubChem CID 38886699) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is methyl 4-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]benzoate
PubChem CID38886699
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Namemethyl 4-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)CCCc2ncc(-c3ccccc3)o2)cc1
InChIInChI=1S/C21H20N2O4/c1-26-21(25)16-10-12-17(13-11-16)23-19(24)8-5-9-20-22-14-18(27-20)15-6-3-2-4-7-15/h2-4,6-7,10-14H,5,8-9H2,1H3,(H,23,24)
InChIKeyUSARWIZDOAOXPT-UHFFFAOYSA-N
XLogP4.09
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]benzoate 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-phenyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 38885502
4-(5-phenyl-1,3-oxazol-2-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide
CID 38936760
2-methyl-N-[4-[3-(5-phenyl-1,3-oxazol-2-yl)propanoylamino]phenyl]propanamide
CID 41355513
N-(2-hydroxypropyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 78873748
N-(4-fluoro-2-methoxyphenyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 86986097
N-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 51958873
3-(5-phenyl-1,3-oxazol-2-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 16590579
N-[4-(difluoromethoxy)phenyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 55487102
N-(3-acetamido-4-methoxyphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 33308762
N-[3-(1-methyltetrazol-5-yl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 38937340
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 38911649
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 55965551

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]benzoate?
The IUPAC name of methyl 4-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]benzoate (CID 38886699) is methyl 4-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]benzoate.
What is the SMILES notation for methyl 4-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]benzoate?
The canonical SMILES for methyl 4-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]benzoate is COC(=O)c1ccc(NC(=O)CCCc2ncc(-c3ccccc3)o2)cc1.
What is the InChIKey of methyl 4-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]benzoate?
The InChIKey is USARWIZDOAOXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-26-21(25)16-10-12-17(13-11-16)23-19(24)8-5-9-20-22-14-18(27-20)15-6-3-2-4-7-15/h2-4,6-7,10-14H,5,8-9H2,1H3,(H,23,24).
What are the key properties of methyl 4-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]benzoate?
methyl 4-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]benzoate has a molecular weight of 364.40 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]benzoate is sourced from PubChem (CID 38886699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).