methyl 5-(4-chlorophenyl)-1,2-oxazole-3-carboxylate

C11H8ClNO3 — CID 3154111

IUPACmethyl 5-(4-chlorophenyl)-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C11H8ClNO3/c1-15-11(14)9-6-10(16-13-9)7-2-4-8(12)5-3-7/h2-6H,1H3
InChIKeyQDMSFKKRLBUFHN-UHFFFAOYSA-N
MW237.64 g/mol
LogP2.78
Rot. Bonds2

About methyl 5-(4-chlorophenyl)-1,2-oxazole-3-carboxylate

methyl 5-(4-chlorophenyl)-1,2-oxazole-3-carboxylate (PubChem CID 3154111) has the molecular formula C11H8ClNO3 and a molecular weight of 237.64 g/mol. Its IUPAC name is methyl 5-(4-chlorophenyl)-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-chlorophenyl)-1,2-oxazole-3-carboxylate
PubChem CID3154111
Molecular FormulaC11H8ClNO3
Molecular Weight237.64 g/mol
Exact Mass237.02
IUPAC Namemethyl 5-(4-chlorophenyl)-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C11H8ClNO3/c1-15-11(14)9-6-10(16-13-9)7-2-4-8(12)5-3-7/h2-6H,1H3
InChIKeyQDMSFKKRLBUFHN-UHFFFAOYSA-N
XLogP2.78
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.64
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-chlorophenyl)-1,2-oxazole-3-carboxylate?
The IUPAC name of methyl 5-(4-chlorophenyl)-1,2-oxazole-3-carboxylate (CID 3154111) is methyl 5-(4-chlorophenyl)-1,2-oxazole-3-carboxylate.
What is the SMILES notation for methyl 5-(4-chlorophenyl)-1,2-oxazole-3-carboxylate?
The canonical SMILES for methyl 5-(4-chlorophenyl)-1,2-oxazole-3-carboxylate is COC(=O)c1cc(-c2ccc(Cl)cc2)on1.
What is the InChIKey of methyl 5-(4-chlorophenyl)-1,2-oxazole-3-carboxylate?
The InChIKey is QDMSFKKRLBUFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO3/c1-15-11(14)9-6-10(16-13-9)7-2-4-8(12)5-3-7/h2-6H,1H3.
What are the key properties of methyl 5-(4-chlorophenyl)-1,2-oxazole-3-carboxylate?
methyl 5-(4-chlorophenyl)-1,2-oxazole-3-carboxylate has a molecular weight of 237.64 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-chlorophenyl)-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 3154111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).