2-chloro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide

C20H14ClN3O2 — CID 58487274

IUPAC2-chloro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide
SMILESCc1cc2ncoc2cc1-c1ccc(NC(=O)c2ccccc2Cl)nc1
InChIInChI=1S/C20H14ClN3O2/c1-12-8-17-18(26-11-23-17)9-15(12)13-6-7-19(22-10-13)24-20(25)14-4-2-3-5-16(14)21/h2-11H,1H3,(H,22,24,25)
InChIKeyDMKJPEPKGPIOMX-UHFFFAOYSA-N
MW363.80 g/mol
LogP5.10
Rot. Bonds3

About 2-chloro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide

2-chloro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide (PubChem CID 58487274) has the molecular formula C20H14ClN3O2 and a molecular weight of 363.80 g/mol. Its IUPAC name is 2-chloro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide
PubChem CID58487274
Molecular FormulaC20H14ClN3O2
Molecular Weight363.80 g/mol
Exact Mass363.08
IUPAC Name2-chloro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide
SMILESCc1cc2ncoc2cc1-c1ccc(NC(=O)c2ccccc2Cl)nc1
InChIInChI=1S/C20H14ClN3O2/c1-12-8-17-18(26-11-23-17)9-15(12)13-6-7-19(22-10-13)24-20(25)14-4-2-3-5-16(14)21/h2-11H,1H3,(H,22,24,25)
InChIKeyDMKJPEPKGPIOMX-UHFFFAOYSA-N
XLogP5.10
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.80
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;2-chloro-N-[5-(5-chloro-2,1,3-benzothiadiazol-6-yl)-2-pyridinyl]benzamide;2-chloro-N-[5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide;N-[5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(2,5-dimethyl-1,3-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;2-fluoro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide
CID 159937794
2-chloro-N-[5-(6-chloro-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]benzamide
CID 58487233
methyl 4-chloro-3-[6-[(2-methylbenzoyl)amino]-3-pyridinyl]benzoate
CID 24775351
N-(1,3-benzoxazol-5-yl)-2-methylbenzamide
CID 110728649
N-(5-acetamido-2-pyridinyl)-2-chlorobenzamide
CID 1449171
N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide
CID 58486870
2-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]benzamide
CID 58487435
2-chloro-N-isoquinolin-3-ylbenzamide
CID 5237288
N-(5-chloro-2-pyridinyl)-2-methylbenzamide
CID 758009
N-[5-(2,2-difluoro-6-methyl-1,3-dihydroinden-5-yl)-2-pyridinyl]-2-methylbenzamide
CID 58487482
N-[5-(3,4-dichlorophenyl)-2-pyridinyl]benzamide
CID 24949712
2-fluoro-N-[5-(6-methyl-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]benzamide
CID 58487360

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide?
The IUPAC name of 2-chloro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide (CID 58487274) is 2-chloro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide.
What is the SMILES notation for 2-chloro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide?
The canonical SMILES for 2-chloro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide is Cc1cc2ncoc2cc1-c1ccc(NC(=O)c2ccccc2Cl)nc1.
What is the InChIKey of 2-chloro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide?
The InChIKey is DMKJPEPKGPIOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O2/c1-12-8-17-18(26-11-23-17)9-15(12)13-6-7-19(22-10-13)24-20(25)14-4-2-3-5-16(14)21/h2-11H,1H3,(H,22,24,25).
What are the key properties of 2-chloro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide?
2-chloro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide has a molecular weight of 363.80 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-(5-methyl-1,3-benzoxazol-6-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 58487274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).