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

C11H11ClN2O2 — CID 68864607

IUPAC3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
SMILESCC1(C(N)=O)CC(c2ccc(Cl)cc2)=NO1
InChIInChI=1S/C11H11ClN2O2/c1-11(10(13)15)6-9(14-16-11)7-2-4-8(12)5-3-7/h2-5H,6H2,1H3,(H2,13,15)
InChIKeyXIVZQISPCVJPBL-UHFFFAOYSA-N
MW238.67 g/mol
LogP1.71
Rot. Bonds2

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

3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide (PubChem CID 68864607) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
PubChem CID68864607
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
SMILESCC1(C(N)=O)CC(c2ccc(Cl)cc2)=NO1
InChIInChI=1S/C11H11ClN2O2/c1-11(10(13)15)6-9(14-16-11)7-2-4-8(12)5-3-7/h2-5H,6H2,1H3,(H2,13,15)
InChIKeyXIVZQISPCVJPBL-UHFFFAOYSA-N
XLogP1.71
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide (CID 68864607) is 3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide is CC1(C(N)=O)CC(c2ccc(Cl)cc2)=NO1.
What is the InChIKey of 3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide?
The InChIKey is XIVZQISPCVJPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c1-11(10(13)15)6-9(14-16-11)7-2-4-8(12)5-3-7/h2-5H,6H2,1H3,(H2,13,15).
What are the key properties of 3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide?
3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide has a molecular weight of 238.67 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 68864607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).