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

C11H9ClN2O3 — CID 64787357

IUPACN-(2-chloro-4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1ccc(O)cc1Cl
InChIInChI=1S/C11H9ClN2O3/c1-6-8(5-13-17-6)11(16)14-10-3-2-7(15)4-9(10)12/h2-5,15H,1H3,(H,14,16)
InChIKeyKJISKLAGTZQRLH-UHFFFAOYSA-N
MW252.66 g/mol
LogP2.59
Rot. Bonds2

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

N-(2-chloro-4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 64787357) has the molecular formula C11H9ClN2O3 and a molecular weight of 252.66 g/mol. Its IUPAC name is N-(2-chloro-4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID64787357
Molecular FormulaC11H9ClN2O3
Molecular Weight252.66 g/mol
Exact Mass252.03
IUPAC NameN-(2-chloro-4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1ccc(O)cc1Cl
InChIInChI=1S/C11H9ClN2O3/c1-6-8(5-13-17-6)11(16)14-10-3-2-7(15)4-9(10)12/h2-5,15H,1H3,(H,14,16)
InChIKeyKJISKLAGTZQRLH-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'}

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Related Compounds

N-(2-chloro-4-nitrophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 23853374
N-(4-amino-2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 16775776
N-(4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 19439747
N-(2,4-dimethylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 71393848
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 110682635
N-(2-chloro-4-hydroxyphenyl)-2-methylbenzamide
CID 64787154
5-methyl-N-(2-methylphenyl)-1,2-oxazole-4-carboxamide
CID 850304
2-chloro-N-(2,5-dichloro-4-methylphenyl)-5-hydroxybenzamide
CID 106502134
2-chloro-4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid
CID 19439718
N-(2-amino-4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 16773048
N-(2-amino-6-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 55032492
N-(5-chloro-2-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 60710472

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(2-chloro-4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 64787357) is N-(2-chloro-4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-chloro-4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(2-chloro-4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)Nc1ccc(O)cc1Cl.
What is the InChIKey of N-(2-chloro-4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is KJISKLAGTZQRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O3/c1-6-8(5-13-17-6)11(16)14-10-3-2-7(15)4-9(10)12/h2-5,15H,1H3,(H,14,16).
What are the key properties of N-(2-chloro-4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
N-(2-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-(2-chloro-4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 64787357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).