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

C13H12ClNO3 — CID 107099722

IUPACethyl 5-(3-chloro-2-methylphenyl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1ncoc1-c1cccc(Cl)c1C
InChIInChI=1S/C13H12ClNO3/c1-3-17-13(16)11-12(18-7-15-11)9-5-4-6-10(14)8(9)2/h4-7H,3H2,1-2H3
InChIKeyJLAYEXYUIHKGGV-UHFFFAOYSA-N
MW265.70 g/mol
LogP3.48
Rot. Bonds3

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

ethyl 5-(3-chloro-2-methylphenyl)-1,3-oxazole-4-carboxylate (PubChem CID 107099722) has the molecular formula C13H12ClNO3 and a molecular weight of 265.70 g/mol. Its IUPAC name is ethyl 5-(3-chloro-2-methylphenyl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(3-chloro-2-methylphenyl)-1,3-oxazole-4-carboxylate
PubChem CID107099722
Molecular FormulaC13H12ClNO3
Molecular Weight265.70 g/mol
Exact Mass265.05
IUPAC Nameethyl 5-(3-chloro-2-methylphenyl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1ncoc1-c1cccc(Cl)c1C
InChIInChI=1S/C13H12ClNO3/c1-3-17-13(16)11-12(18-7-15-11)9-5-4-6-10(14)8(9)2/h4-7H,3H2,1-2H3
InChIKeyJLAYEXYUIHKGGV-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

ethyl 5-(5-chloro-2-methylphenyl)-1,3-oxazole-4-carboxylate
CID 82891107
ethyl 5-(4-chloro-2,5-difluorophenyl)-1,3-oxazole-4-carboxylate
CID 82771967
ethyl 5-[2-(4-methylsulfanylphenyl)phenyl]-1,3-oxazole-4-carboxylate
CID 175523587
ethyl 5-(2,3,4-trifluorophenyl)-1,3-oxazole-4-carboxylate
CID 79755764
ethyl 5-pyrimidin-2-yl-1,3-oxazole-4-carboxylate
CID 168859081
ethyl 5-(4-phenylphenyl)-1,3-oxazole-4-carboxylate
CID 100802140
ethyl 5-[2-(4-methylpiperidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxylate
CID 46387154
ethyl 5-(3-methoxyphenyl)-1,3-oxazole-4-carboxylate
CID 46942091
4-(bromomethyl)-5-(3-chloro-2-methylphenyl)-1,3-oxazole
CID 107101359
ethyl 5-[4-chloro-2-[(2-methyl-3-pyridinyl)amino]phenyl]-1,3-oxazole-4-carboxylate
CID 164562760
ethyl 5-[2-(cyclohexylcarbamoyl)phenyl]-1,3-oxazole-4-carboxylate
CID 20973922
ethyl 5-[2-(cycloheptylcarbamoyl)phenyl]-1,3-oxazole-4-carboxylate
CID 20973901

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(3-chloro-2-methylphenyl)-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-(3-chloro-2-methylphenyl)-1,3-oxazole-4-carboxylate (CID 107099722) is ethyl 5-(3-chloro-2-methylphenyl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(3-chloro-2-methylphenyl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-(3-chloro-2-methylphenyl)-1,3-oxazole-4-carboxylate is CCOC(=O)c1ncoc1-c1cccc(Cl)c1C.
What is the InChIKey of ethyl 5-(3-chloro-2-methylphenyl)-1,3-oxazole-4-carboxylate?
The InChIKey is JLAYEXYUIHKGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO3/c1-3-17-13(16)11-12(18-7-15-11)9-5-4-6-10(14)8(9)2/h4-7H,3H2,1-2H3.
What are the key properties of ethyl 5-(3-chloro-2-methylphenyl)-1,3-oxazole-4-carboxylate?
ethyl 5-(3-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-(3-chloro-2-methylphenyl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 107099722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).