N-(3-chloro-4-methylphenyl)-1,3-benzoxazole-6-carboxamide

C15H11ClN2O2 — CID 110859301

IUPACN-(3-chloro-4-methylphenyl)-1,3-benzoxazole-6-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3ncoc3c2)cc1Cl
InChIInChI=1S/C15H11ClN2O2/c1-9-2-4-11(7-12(9)16)18-15(19)10-3-5-13-14(6-10)20-8-17-13/h2-8H,1H3,(H,18,19)
InChIKeyJTSIYNLSFDPSOV-UHFFFAOYSA-N
MW286.72 g/mol
LogP4.04
Rot. Bonds2

About N-(3-chloro-4-methylphenyl)-1,3-benzoxazole-6-carboxamide

N-(3-chloro-4-methylphenyl)-1,3-benzoxazole-6-carboxamide (PubChem CID 110859301) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-1,3-benzoxazole-6-carboxamide
PubChem CID110859301
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC NameN-(3-chloro-4-methylphenyl)-1,3-benzoxazole-6-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3ncoc3c2)cc1Cl
InChIInChI=1S/C15H11ClN2O2/c1-9-2-4-11(7-12(9)16)18-15(19)10-3-5-13-14(6-10)20-8-17-13/h2-8H,1H3,(H,18,19)
InChIKeyJTSIYNLSFDPSOV-UHFFFAOYSA-N
XLogP4.04
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-1,3-benzoxazole-6-carboxamide
CID 110765115
N-(1,3-benzoxazol-6-yl)-4-(methylamino)benzamide
CID 115161080
N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 710602
N-(3-chloro-4-methylphenyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 17274467
N-(3-chloro-4-fluorophenyl)-1,3-benzoxazole-5-carboxamide
CID 110388195
N-(3-methoxyphenyl)-1,3-benzoxazole-6-carboxamide
CID 110765121
N-(3-chloro-4-methylphenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide
CID 9072722
N-(3-chloro-4-methylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110756427
N-(3-chloro-4-methylphenyl)-4-hydroxy-3-methylbenzamide
CID 103951695
3-bromo-N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 952306
N-(3-chloro-4-methylphenyl)-3-methylbenzamide
CID 710448
N-[4-(4-methylpiperidin-1-yl)phenyl]-1,3-benzoxazole-6-carboxamide
CID 110862309

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-1,3-benzoxazole-6-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-1,3-benzoxazole-6-carboxamide (CID 110859301) is N-(3-chloro-4-methylphenyl)-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-1,3-benzoxazole-6-carboxamide is Cc1ccc(NC(=O)c2ccc3ncoc3c2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-1,3-benzoxazole-6-carboxamide?
The InChIKey is JTSIYNLSFDPSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c1-9-2-4-11(7-12(9)16)18-15(19)10-3-5-13-14(6-10)20-8-17-13/h2-8H,1H3,(H,18,19).
What are the key properties of N-(3-chloro-4-methylphenyl)-1,3-benzoxazole-6-carboxamide?
N-(3-chloro-4-methylphenyl)-1,3-benzoxazole-6-carboxamide has a molecular weight of 286.72 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 110859301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).