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

C12H10ClNO3 — CID 131857629

IUPACmethyl 2-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]acetate
SMILESCOC(=O)Cc1cc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C12H10ClNO3/c1-16-12(15)7-10-6-11(14-17-10)8-2-4-9(13)5-3-8/h2-6H,7H2,1H3
InChIKeyUJAXCISPNSSMAR-UHFFFAOYSA-N
MW251.67 g/mol
LogP2.71
Rot. Bonds3

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

methyl 2-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]acetate (PubChem CID 131857629) has the molecular formula C12H10ClNO3 and a molecular weight of 251.67 g/mol. Its IUPAC name is methyl 2-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]acetate
PubChem CID131857629
Molecular FormulaC12H10ClNO3
Molecular Weight251.67 g/mol
Exact Mass251.03
IUPAC Namemethyl 2-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]acetate
SMILESCOC(=O)Cc1cc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C12H10ClNO3/c1-16-12(15)7-10-6-11(14-17-10)8-2-4-9(13)5-3-8/h2-6H,7H2,1H3
InChIKeyUJAXCISPNSSMAR-UHFFFAOYSA-N
XLogP2.71
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

3-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-1,2-oxazole
CID 118321395
methyl (2S,4S)-1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-hydroxypyrrolidine-2-carboxylate
CID 99706083
N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]acetamide
CID 112503051
2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylcarbamoyl]-3-methylbutanoic acid
CID 167935125
2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl-methylamino]propanoic acid
CID 75384716
2-[3-(4-propan-2-ylphenyl)-1,2-oxazol-5-yl]acetic acid
CID 82294611
5-chloro-2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methoxy]benzamide
CID 46696629
[2-(methylamino)-2-oxoethyl] N-[4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]butyl]carbamate
CID 67396874
2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-propylpropanamide
CID 134007751
5-[(2-chlorophenoxy)methyl]-3-(4-chlorophenyl)-1,2-oxazole
CID 146097170
[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 4-(propan-2-ylsulfamoyl)benzoate
CID 46803049
(3-phenyl-1,2-oxazol-5-yl)methyl 3-acetamido-3-(4-chlorophenyl)propanoate
CID 55479074

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]acetate?
The IUPAC name of methyl 2-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]acetate (CID 131857629) is methyl 2-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]acetate.
What is the SMILES notation for methyl 2-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]acetate?
The canonical SMILES for methyl 2-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]acetate is COC(=O)Cc1cc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of methyl 2-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]acetate?
The InChIKey is UJAXCISPNSSMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO3/c1-16-12(15)7-10-6-11(14-17-10)8-2-4-9(13)5-3-8/h2-6H,7H2,1H3.
What are the key properties of methyl 2-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]acetate?
methyl 2-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]acetate has a molecular weight of 251.67 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]acetate is sourced from PubChem (CID 131857629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).