N-(2-chloro-4,6-dimethylphenyl)-1,3-benzoxazole-5-carboxamide

C16H13ClN2O2 — CID 110388196

IUPACN-(2-chloro-4,6-dimethylphenyl)-1,3-benzoxazole-5-carboxamide
SMILESCc1cc(C)c(NC(=O)c2ccc3ocnc3c2)c(Cl)c1
InChIInChI=1S/C16H13ClN2O2/c1-9-5-10(2)15(12(17)6-9)19-16(20)11-3-4-14-13(7-11)18-8-21-14/h3-8H,1-2H3,(H,19,20)
InChIKeyMOIMKWUVWVTOFH-UHFFFAOYSA-N
MW300.75 g/mol
LogP4.35
Rot. Bonds2

About N-(2-chloro-4,6-dimethylphenyl)-1,3-benzoxazole-5-carboxamide

N-(2-chloro-4,6-dimethylphenyl)-1,3-benzoxazole-5-carboxamide (PubChem CID 110388196) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-1,3-benzoxazole-5-carboxamide
PubChem CID110388196
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-1,3-benzoxazole-5-carboxamide
SMILESCc1cc(C)c(NC(=O)c2ccc3ocnc3c2)c(Cl)c1
InChIInChI=1S/C16H13ClN2O2/c1-9-5-10(2)15(12(17)6-9)19-16(20)11-3-4-14-13(7-11)18-8-21-14/h3-8H,1-2H3,(H,19,20)
InChIKeyMOIMKWUVWVTOFH-UHFFFAOYSA-N
XLogP4.35
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-tert-butyl-1-N-(2-chloro-4,6-dimethylphenyl)benzene-1,4-dicarboxamide
CID 109048521
N-(2-chloro-4,6-dimethylphenyl)naphthalene-2-carboxamide
CID 7749916
N-(2-chloro-4,6-dimethylphenyl)-4-nitrobenzamide
CID 2673711
N-tert-butyl-1,3-benzoxazole-5-carboxamide
CID 110388151
N-(3-chloro-4-methylphenyl)-1,3-benzoxazole-6-carboxamide
CID 110859301
N-(4-fluorophenyl)-1,3-benzoxazole-5-carboxamide
CID 110388187
N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide
CID 19224279
4-N-(2-chloro-4,6-dimethylphenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide
CID 109092978
N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-1,3-benzoxazole-5-carboxamide
CID 154681722
N-(2-bromophenyl)-1,3-benzoxazole-5-carboxamide
CID 110388234
3-bromo-4-chloro-N-(2,4,6-trimethylphenyl)benzamide
CID 107999165
N-(2-chloro-4,6-dimethylphenyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 42908077

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-1,3-benzoxazole-5-carboxamide (CID 110388196) is N-(2-chloro-4,6-dimethylphenyl)-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-1,3-benzoxazole-5-carboxamide is Cc1cc(C)c(NC(=O)c2ccc3ocnc3c2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-1,3-benzoxazole-5-carboxamide?
The InChIKey is MOIMKWUVWVTOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c1-9-5-10(2)15(12(17)6-9)19-16(20)11-3-4-14-13(7-11)18-8-21-14/h3-8H,1-2H3,(H,19,20).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-1,3-benzoxazole-5-carboxamide?
N-(2-chloro-4,6-dimethylphenyl)-1,3-benzoxazole-5-carboxamide has a molecular weight of 300.75 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 110388196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).