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

C11H9ClN2O2 — CID 110689561

IUPACN-(5-chloro-2-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1cocn1
InChIInChI=1S/C11H9ClN2O2/c1-7-2-3-8(12)4-9(7)14-11(15)10-5-16-6-13-10/h2-6H,1H3,(H,14,15)
InChIKeyCQTAEXIIFLZTAA-UHFFFAOYSA-N
MW236.66 g/mol
LogP2.89
Rot. Bonds2

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

N-(5-chloro-2-methylphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 110689561) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-1,3-oxazole-4-carboxamide
PubChem CID110689561
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC NameN-(5-chloro-2-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1cocn1
InChIInChI=1S/C11H9ClN2O2/c1-7-2-3-8(12)4-9(7)14-11(15)10-5-16-6-13-10/h2-6H,1H3,(H,14,15)
InChIKeyCQTAEXIIFLZTAA-UHFFFAOYSA-N
XLogP2.89
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(5-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide
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N-(2,4-difluorophenyl)-1,3-oxazole-4-carboxamide
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N-(5-chloro-2-methylphenyl)-2,6-dimethylpyrimidine-4-carboxamide
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5-[(5-chloro-2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43414752
N-(5-chloro-2-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 7113446
N-(5-chloro-2-methylphenyl)-1-ethylpyrazole-3-carboxamide
CID 19262159
N-(5-chloro-2-methylphenyl)-2,4,6-trimethylbenzamide
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N-(5-chloro-2-methylphenyl)-3,5-dimethylbenzamide
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N-(5-chloro-2-methylphenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-1,3-oxazole-4-carboxamide (CID 110689561) is N-(5-chloro-2-methylphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-1,3-oxazole-4-carboxamide is Cc1ccc(Cl)cc1NC(=O)c1cocn1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is CQTAEXIIFLZTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c1-7-2-3-8(12)4-9(7)14-11(15)10-5-16-6-13-10/h2-6H,1H3,(H,14,15).
What are the key properties of N-(5-chloro-2-methylphenyl)-1,3-oxazole-4-carboxamide?
N-(5-chloro-2-methylphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 236.66 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 110689561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).