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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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).