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

C16H13ClN2O4 — CID 110765168

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-1,3-benzoxazole-6-carboxamide
SMILESCOc1cc(NC(=O)c2ccc3ncoc3c2)c(OC)cc1Cl
InChIInChI=1S/C16H13ClN2O4/c1-21-13-7-12(14(22-2)6-10(13)17)19-16(20)9-3-4-11-15(5-9)23-8-18-11/h3-8H,1-2H3,(H,19,20)
InChIKeyRLJNZNNRTQJZIP-UHFFFAOYSA-N
MW332.74 g/mol
LogP3.75
Rot. Bonds4

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

N-(4-chloro-2,5-dimethoxyphenyl)-1,3-benzoxazole-6-carboxamide (PubChem CID 110765168) has the molecular formula C16H13ClN2O4 and a molecular weight of 332.74 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-1,3-benzoxazole-6-carboxamide
PubChem CID110765168
Molecular FormulaC16H13ClN2O4
Molecular Weight332.74 g/mol
Exact Mass332.06
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-1,3-benzoxazole-6-carboxamide
SMILESCOc1cc(NC(=O)c2ccc3ncoc3c2)c(OC)cc1Cl
InChIInChI=1S/C16H13ClN2O4/c1-21-13-7-12(14(22-2)6-10(13)17)19-16(20)9-3-4-11-15(5-9)23-8-18-11/h3-8H,1-2H3,(H,19,20)
InChIKeyRLJNZNNRTQJZIP-UHFFFAOYSA-N
XLogP3.75
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.74
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzoxazol-6-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 110771892
N-(4-chloro-2,5-dimethoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18149046
methyl 3-[(4-chloro-2,5-dimethoxyphenyl)carbamoyl]benzoate
CID 46485057
N-(4-chloro-2,5-dimethoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 17427560
N-(5-chloro-2,4-dimethoxyphenyl)benzamide
CID 835257
N-(4-chloro-2,5-dimethoxyphenyl)-3-fluorobenzamide
CID 4060765
N-(3-chloro-4-methylphenyl)-1,3-benzoxazole-6-carboxamide
CID 110859301
N-(4-chlorophenyl)-1,3-benzoxazole-6-carboxamide
CID 110765115
N-(4-chloro-2,5-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 110693481
N-(2-chloro-4,5-dimethoxyphenyl)quinoxaline-6-carboxamide
CID 17443015
N-(4-chloro-2,5-dimethoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 28825951
N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 55386862

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-1,3-benzoxazole-6-carboxamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-1,3-benzoxazole-6-carboxamide (CID 110765168) is N-(4-chloro-2,5-dimethoxyphenyl)-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-1,3-benzoxazole-6-carboxamide is COc1cc(NC(=O)c2ccc3ncoc3c2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-1,3-benzoxazole-6-carboxamide?
The InChIKey is RLJNZNNRTQJZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O4/c1-21-13-7-12(14(22-2)6-10(13)17)19-16(20)9-3-4-11-15(5-9)23-8-18-11/h3-8H,1-2H3,(H,19,20).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-1,3-benzoxazole-6-carboxamide?
N-(4-chloro-2,5-dimethoxyphenyl)-1,3-benzoxazole-6-carboxamide has a molecular weight of 332.74 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 110765168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).