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

C11H9ClN2O2 — CID 653647

IUPAC3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(N)=O
InChIInChI=1S/C11H9ClN2O2/c1-6-9(11(13)15)10(14-16-6)7-4-2-3-5-8(7)12/h2-5H,1H3,(H2,13,15)
InChIKeyOZFANALXKZFARG-UHFFFAOYSA-N
MW236.66 g/mol
LogP2.40
Rot. Bonds2

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

3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 653647) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID653647
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC Name3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(N)=O
InChIInChI=1S/C11H9ClN2O2/c1-6-9(11(13)15)10(14-16-6)7-4-2-3-5-8(7)12/h2-5H,1H3,(H2,13,15)
InChIKeyOZFANALXKZFARG-UHFFFAOYSA-N
XLogP2.40
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 653647) is 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2Cl)c1C(N)=O.
What is the InChIKey of 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is OZFANALXKZFARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c1-6-9(11(13)15)10(14-16-6)7-4-2-3-5-8(7)12/h2-5H,1H3,(H2,13,15).
What are the key properties of 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 236.66 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 653647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).