ethyl 5-(5-chloro-2-methylphenyl)-1,3-oxazole-4-carboxylate

C13H12ClNO3 — CID 82891107

IUPACethyl 5-(5-chloro-2-methylphenyl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1ncoc1-c1cc(Cl)ccc1C
InChIInChI=1S/C13H12ClNO3/c1-3-17-13(16)11-12(18-7-15-11)10-6-9(14)5-4-8(10)2/h4-7H,3H2,1-2H3
InChIKeyGAIPZHSHMGHYFG-UHFFFAOYSA-N
MW265.70 g/mol
LogP3.48
Rot. Bonds3

About ethyl 5-(5-chloro-2-methylphenyl)-1,3-oxazole-4-carboxylate

ethyl 5-(5-chloro-2-methylphenyl)-1,3-oxazole-4-carboxylate (PubChem CID 82891107) has the molecular formula C13H12ClNO3 and a molecular weight of 265.70 g/mol. Its IUPAC name is ethyl 5-(5-chloro-2-methylphenyl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(5-chloro-2-methylphenyl)-1,3-oxazole-4-carboxylate
PubChem CID82891107
Molecular FormulaC13H12ClNO3
Molecular Weight265.70 g/mol
Exact Mass265.05
IUPAC Nameethyl 5-(5-chloro-2-methylphenyl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1ncoc1-c1cc(Cl)ccc1C
InChIInChI=1S/C13H12ClNO3/c1-3-17-13(16)11-12(18-7-15-11)10-6-9(14)5-4-8(10)2/h4-7H,3H2,1-2H3
InChIKeyGAIPZHSHMGHYFG-UHFFFAOYSA-N
XLogP3.48
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-Chlorophenyl)-1,3-oxazole-4-carboxylic acid
CID 2739757
5-Phenyl-1,3-oxazole-4-carboxylic acid
CID 2776299
Ethyl 5-phenyl-1,3-oxazole-4-carboxylate
CID 2796947
N4-methyl-5-(4-chlorophenyl)-1,3-oxazole-4-carboxamide
CID 2739496
4-Oxazolecarboxylic acid, 2-(4-chlorophenyl)-5-methyl-, ethyl ester
CID 12282193
5-(2-Fluorophenyl)-1,3-oxazole-4-carboxylic acid
CID 22714196
5-(4-Methylphenyl)-1,3-oxazole-4-carboxylic acid
CID 2739750
5-(2-Chlorophenyl)-1,3-oxazole-4-carboxylic acid
CID 2739756
3-[4-[[5-(4-Chlorophenyl)-1,3-oxazol-4-yl]methoxy]-2,3-dimethylphenyl]propanoic acid
CID 137646145
5-(4-Chlorophenyl)-1,3-oxazole-4-carboxylic acid
CID 2757827
Ethyl 5-(4-bromophenyl)oxazole-4-carboxylate
CID 2758809
5-Phenyl-1,3-oxazole-4-carbonyl chloride
CID 2776300

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(5-chloro-2-methylphenyl)-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-(5-chloro-2-methylphenyl)-1,3-oxazole-4-carboxylate (CID 82891107) is ethyl 5-(5-chloro-2-methylphenyl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(5-chloro-2-methylphenyl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-(5-chloro-2-methylphenyl)-1,3-oxazole-4-carboxylate is CCOC(=O)c1ncoc1-c1cc(Cl)ccc1C.
What is the InChIKey of ethyl 5-(5-chloro-2-methylphenyl)-1,3-oxazole-4-carboxylate?
The InChIKey is GAIPZHSHMGHYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO3/c1-3-17-13(16)11-12(18-7-15-11)10-6-9(14)5-4-8(10)2/h4-7H,3H2,1-2H3.
What are the key properties of ethyl 5-(5-chloro-2-methylphenyl)-1,3-oxazole-4-carboxylate?
ethyl 5-(5-chloro-2-methylphenyl)-1,3-oxazole-4-carboxylate has a molecular weight of 265.70 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(5-chloro-2-methylphenyl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 82891107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).