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

C11H8Cl2N2O3 — CID 23566060

IUPACN-(3,5-dichloro-2-hydroxy-4-methylphenyl)-1,2-oxazole-5-carboxamide
SMILESCc1c(Cl)cc(NC(=O)c2ccno2)c(O)c1Cl
InChIInChI=1S/C11H8Cl2N2O3/c1-5-6(12)4-7(10(16)9(5)13)15-11(17)8-2-3-14-18-8/h2-4,16H,1H3,(H,15,17)
InChIKeyDQAACXJJKFYANO-UHFFFAOYSA-N
MW287.10 g/mol
LogP3.25
Rot. Bonds2

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

N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-1,2-oxazole-5-carboxamide (PubChem CID 23566060) has the molecular formula C11H8Cl2N2O3 and a molecular weight of 287.10 g/mol. Its IUPAC name is N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-2-hydroxy-4-methylphenyl)-1,2-oxazole-5-carboxamide
PubChem CID23566060
Molecular FormulaC11H8Cl2N2O3
Molecular Weight287.10 g/mol
Exact Mass285.99
IUPAC NameN-(3,5-dichloro-2-hydroxy-4-methylphenyl)-1,2-oxazole-5-carboxamide
SMILESCc1c(Cl)cc(NC(=O)c2ccno2)c(O)c1Cl
InChIInChI=1S/C11H8Cl2N2O3/c1-5-6(12)4-7(10(16)9(5)13)15-11(17)8-2-3-14-18-8/h2-4,16H,1H3,(H,15,17)
InChIKeyDQAACXJJKFYANO-UHFFFAOYSA-N
XLogP3.25
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.10
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromo-2-chlorophenyl)-1,2-oxazole-5-carboxamide
CID 55211541
N-(4-chloro-2,5-dimethoxyphenyl)-1,2-oxazole-5-carboxamide
CID 8003045
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)propanamide
CID 59817322
N-(2-chloro-5-sulfamoylphenyl)-1,2-oxazole-5-carboxamide
CID 61131080
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-methylprop-2-enamide
CID 4110221
ethyl N-(3,5-dichloro-2-hydroxy-4-methylphenyl)carbamate
CID 102371943
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)butanamide
CID 19093274
N-(2-methyl-3-sulfamoylphenyl)-1,2-oxazole-5-carboxamide
CID 61130286
N-(2-ethylphenyl)-1,2-oxazole-5-carboxamide
CID 110693633
(3,5-dichloro-2-hydroxy-4-methylphenyl)thiourea
CID 169359962
N-(4-bromo-2-ethylphenyl)-1,2-oxazole-5-carboxamide
CID 114286938
3-[3-methyl-4-(1,2-oxazole-5-carbonylamino)phenyl]prop-2-enoic acid
CID 76907432

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-1,2-oxazole-5-carboxamide (CID 23566060) is N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-1,2-oxazole-5-carboxamide is Cc1c(Cl)cc(NC(=O)c2ccno2)c(O)c1Cl.
What is the InChIKey of N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is DQAACXJJKFYANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O3/c1-5-6(12)4-7(10(16)9(5)13)15-11(17)8-2-3-14-18-8/h2-4,16H,1H3,(H,15,17).
What are the key properties of N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-1,2-oxazole-5-carboxamide?
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 287.10 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 23566060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).