4-chloro-N-(2-hydroxy-5-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide

C12H11ClN2O3 — CID 20868353

IUPAC4-chloro-N-(2-hydroxy-5-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1ccc(O)c(NC(=O)c2onc(C)c2Cl)c1
InChIInChI=1S/C12H11ClN2O3/c1-6-3-4-9(16)8(5-6)14-12(17)11-10(13)7(2)15-18-11/h3-5,16H,1-2H3,(H,14,17)
InChIKeyNCFBEWUPTSGHKG-UHFFFAOYSA-N
MW266.68 g/mol
LogP2.90
Rot. Bonds2

About 4-chloro-N-(2-hydroxy-5-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide

4-chloro-N-(2-hydroxy-5-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 20868353) has the molecular formula C12H11ClN2O3 and a molecular weight of 266.68 g/mol. Its IUPAC name is 4-chloro-N-(2-hydroxy-5-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2-hydroxy-5-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID20868353
Molecular FormulaC12H11ClN2O3
Molecular Weight266.68 g/mol
Exact Mass266.05
IUPAC Name4-chloro-N-(2-hydroxy-5-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1ccc(O)c(NC(=O)c2onc(C)c2Cl)c1
InChIInChI=1S/C12H11ClN2O3/c1-6-3-4-9(16)8(5-6)14-12(17)11-10(13)7(2)15-18-11/h3-5,16H,1-2H3,(H,14,17)
InChIKeyNCFBEWUPTSGHKG-UHFFFAOYSA-N
XLogP2.90
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-hydroxy-5-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of 4-chloro-N-(2-hydroxy-5-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide (CID 20868353) is 4-chloro-N-(2-hydroxy-5-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-(2-hydroxy-5-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-(2-hydroxy-5-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide is Cc1ccc(O)c(NC(=O)c2onc(C)c2Cl)c1.
What is the InChIKey of 4-chloro-N-(2-hydroxy-5-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is NCFBEWUPTSGHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3/c1-6-3-4-9(16)8(5-6)14-12(17)11-10(13)7(2)15-18-11/h3-5,16H,1-2H3,(H,14,17).
What are the key properties of 4-chloro-N-(2-hydroxy-5-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide?
4-chloro-N-(2-hydroxy-5-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 266.68 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-hydroxy-5-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 20868353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).