2-chloro-4-methyl-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide

C20H14ClN3O2 — CID 1090209

IUPAC2-chloro-4-methyl-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)c(Cl)c1
InChIInChI=1S/C20H14ClN3O2/c1-12-4-6-15(16(21)9-12)19(25)23-14-5-7-18-17(10-14)24-20(26-18)13-3-2-8-22-11-13/h2-11H,1H3,(H,23,25)
InChIKeyJKUBVLAKMQEWFB-UHFFFAOYSA-N
MW363.80 g/mol
LogP5.10
Rot. Bonds3

About 2-chloro-4-methyl-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide

2-chloro-4-methyl-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide (PubChem CID 1090209) has the molecular formula C20H14ClN3O2 and a molecular weight of 363.80 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
PubChem CID1090209
Molecular FormulaC20H14ClN3O2
Molecular Weight363.80 g/mol
Exact Mass363.08
IUPAC Name2-chloro-4-methyl-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)c(Cl)c1
InChIInChI=1S/C20H14ClN3O2/c1-12-4-6-15(16(21)9-12)19(25)23-14-5-7-18-17(10-14)24-20(26-18)13-3-2-8-22-11-13/h2-11H,1H3,(H,23,25)
InChIKeyJKUBVLAKMQEWFB-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-4-methyl-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide?
The IUPAC name of 2-chloro-4-methyl-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide (CID 1090209) is 2-chloro-4-methyl-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide.
What is the SMILES notation for 2-chloro-4-methyl-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide?
The canonical SMILES for 2-chloro-4-methyl-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide is Cc1ccc(C(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-methyl-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide?
The InChIKey is JKUBVLAKMQEWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O2/c1-12-4-6-15(16(21)9-12)19(25)23-14-5-7-18-17(10-14)24-20(26-18)13-3-2-8-22-11-13/h2-11H,1H3,(H,23,25).
What are the key properties of 2-chloro-4-methyl-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide?
2-chloro-4-methyl-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)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-4-methyl-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide is sourced from PubChem (CID 1090209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).