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

C11H9ClN2O3 — CID 64788102

IUPACN-(3-chloro-4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1ccc(O)c(Cl)c1
InChIInChI=1S/C11H9ClN2O3/c1-6-8(5-13-17-6)11(16)14-7-2-3-10(15)9(12)4-7/h2-5,15H,1H3,(H,14,16)
InChIKeyIUAUELYLQBBKSR-UHFFFAOYSA-N
MW252.66 g/mol
LogP2.59
Rot. Bonds2

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

N-(3-chloro-4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 64788102) has the molecular formula C11H9ClN2O3 and a molecular weight of 252.66 g/mol. Its IUPAC name is N-(3-chloro-4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID64788102
Molecular FormulaC11H9ClN2O3
Molecular Weight252.66 g/mol
Exact Mass252.03
IUPAC NameN-(3-chloro-4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1ccc(O)c(Cl)c1
InChIInChI=1S/C11H9ClN2O3/c1-6-8(5-13-17-6)11(16)14-7-2-3-10(15)9(12)4-7/h2-5,15H,1H3,(H,14,16)
InChIKeyIUAUELYLQBBKSR-UHFFFAOYSA-N
XLogP2.59
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-chloro-4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid
CID 19439718
N-(4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 19439747
N-(3-chloro-4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 63935503
N-(2-chloro-4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 64787357
N-(4-iodophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 850525
2-chloro-N-(3-chloro-4-hydroxyphenyl)benzamide
CID 5119935
N-(1,3-dimethyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-5-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 119101346
N-(4-amino-2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 16775776
N-[4-[(2-aminoacetyl)amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 15871088
5-(113C)methyl-N-[4-(trifluoromethyl)phenyl]-(4,5-13C2)1,2-oxazole-4-carboxamide
CID 10869480
5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1,2-oxazole-4-carboxamide
CID 63901115
N-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 52689701

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(3-chloro-4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 64788102) is N-(3-chloro-4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)Nc1ccc(O)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is IUAUELYLQBBKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O3/c1-6-8(5-13-17-6)11(16)14-7-2-3-10(15)9(12)4-7/h2-5,15H,1H3,(H,14,16).
What are the key properties of N-(3-chloro-4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
N-(3-chloro-4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 252.66 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 64788102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).