methyl 3-[5-(4-chlorophenyl)-1,2-oxazol-4-yl]propanoate

C13H12ClNO3 — CID 22221228

IUPACmethyl 3-[5-(4-chlorophenyl)-1,2-oxazol-4-yl]propanoate
SMILESCOC(=O)CCc1cnoc1-c1ccc(Cl)cc1
InChIInChI=1S/C13H12ClNO3/c1-17-12(16)7-4-10-8-15-18-13(10)9-2-5-11(14)6-3-9/h2-3,5-6,8H,4,7H2,1H3
InChIKeyFYJNDIOQWUUUOI-UHFFFAOYSA-N
MW265.70 g/mol
LogP3.10
Rot. Bonds4

About methyl 3-[5-(4-chlorophenyl)-1,2-oxazol-4-yl]propanoate

methyl 3-[5-(4-chlorophenyl)-1,2-oxazol-4-yl]propanoate (PubChem CID 22221228) has the molecular formula C13H12ClNO3 and a molecular weight of 265.70 g/mol. Its IUPAC name is methyl 3-[5-(4-chlorophenyl)-1,2-oxazol-4-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[5-(4-chlorophenyl)-1,2-oxazol-4-yl]propanoate
PubChem CID22221228
Molecular FormulaC13H12ClNO3
Molecular Weight265.70 g/mol
Exact Mass265.05
IUPAC Namemethyl 3-[5-(4-chlorophenyl)-1,2-oxazol-4-yl]propanoate
SMILESCOC(=O)CCc1cnoc1-c1ccc(Cl)cc1
InChIInChI=1S/C13H12ClNO3/c1-17-12(16)7-4-10-8-15-18-13(10)9-2-5-11(14)6-3-9/h2-3,5-6,8H,4,7H2,1H3
InChIKeyFYJNDIOQWUUUOI-UHFFFAOYSA-N
XLogP3.10
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-[5-(4-chlorophenyl)-1,2-oxazol-4-yl]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

[5-(4-chlorophenyl)-1,2-oxazol-4-yl]methanol
CID 97032664
methyl 3-[5-(4-methylthiophen-2-yl)-1,2-oxazol-4-yl]propanoate
CID 22221480
methyl 3-(4-chloro-2-fluorophenyl)propanoate
CID 91755213
N-butyl-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide
CID 22221434
N-[4-(dimethoxyphosphorylmethyl)phenyl]-3-[5-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide
CID 87889954
methyl 2-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]acetate
CID 131857629
3-[5-(3-chloro-4-fluorophenyl)-1,2-oxazol-4-yl]-1-(4-methylpiperazin-1-yl)propan-1-one;2,2,2-trifluoroacetic acid
CID 22221046
N-[4-(dimethoxyphosphorylmethyl)phenyl]-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide
CID 87889547
(4-chlorophenyl) 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 24592474
N-[2-(4-chlorophenyl)ethyl]-5-(4-methylphenyl)-1,2-oxazole-4-carboxamide
CID 59170194
methyl 3-[3-(3,4-dichlorophenyl)-1,2-oxazol-4-yl]propanoate
CID 22221152
methyl 3-[3-(4-chlorophenyl)-4-hydroxyphenyl]propanoate
CID 70423773

Frequently Asked Questions

What is the IUPAC name of methyl 3-[5-(4-chlorophenyl)-1,2-oxazol-4-yl]propanoate?
The IUPAC name of methyl 3-[5-(4-chlorophenyl)-1,2-oxazol-4-yl]propanoate (CID 22221228) is methyl 3-[5-(4-chlorophenyl)-1,2-oxazol-4-yl]propanoate.
What is the SMILES notation for methyl 3-[5-(4-chlorophenyl)-1,2-oxazol-4-yl]propanoate?
The canonical SMILES for methyl 3-[5-(4-chlorophenyl)-1,2-oxazol-4-yl]propanoate is COC(=O)CCc1cnoc1-c1ccc(Cl)cc1.
What is the InChIKey of methyl 3-[5-(4-chlorophenyl)-1,2-oxazol-4-yl]propanoate?
The InChIKey is FYJNDIOQWUUUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO3/c1-17-12(16)7-4-10-8-15-18-13(10)9-2-5-11(14)6-3-9/h2-3,5-6,8H,4,7H2,1H3.
What are the key properties of methyl 3-[5-(4-chlorophenyl)-1,2-oxazol-4-yl]propanoate?
methyl 3-[5-(4-chlorophenyl)-1,2-oxazol-4-yl]propanoate has a molecular weight of 265.70 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[5-(4-chlorophenyl)-1,2-oxazol-4-yl]propanoate is sourced from PubChem (CID 22221228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).