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

C20H15N3O2 — CID 699256

IUPAC2-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
SMILESCc1ccccc1C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1
InChIInChI=1S/C20H15N3O2/c1-13-4-2-3-5-16(13)19(24)22-15-6-7-18-17(12-15)23-20(25-18)14-8-10-21-11-9-14/h2-12H,1H3,(H,22,24)
InChIKeyWOKYWROWSGOHHJ-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.45
Rot. Bonds3

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

2-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide (PubChem CID 699256) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide.

Molecular Properties

Compound Name2-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
PubChem CID699256
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name2-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
SMILESCc1ccccc1C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1
InChIInChI=1S/C20H15N3O2/c1-13-4-2-3-5-16(13)19(24)22-15-6-7-18-17(12-15)23-20(25-18)14-8-10-21-11-9-14/h2-12H,1H3,(H,22,24)
InChIKeyWOKYWROWSGOHHJ-UHFFFAOYSA-N
XLogP4.45
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methylbenzamide
CID 801337
N-[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]-2-methylbenzamide
CID 17101713
2-methyl-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 698044
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-2-methylbenzamide
CID 1397326
2-methyl-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 5229080
5-bromo-2-methoxy-3-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
CID 2215008
2-fluoro-N-(2-phenyl-1,3-benzoxazol-5-yl)benzamide
CID 718625
2-methoxy-3-methyl-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
CID 2996116
5-chloro-2-methoxy-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
CID 1367090
(2S)-2-phenyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
CID 71662588
2-chloro-N-[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
CID 4663208
N-[4-(5-benzamido-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 53356244

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide?
The IUPAC name of 2-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide (CID 699256) is 2-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide.
What is the SMILES notation for 2-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide?
The canonical SMILES for 2-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide is Cc1ccccc1C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1.
What is the InChIKey of 2-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide?
The InChIKey is WOKYWROWSGOHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c1-13-4-2-3-5-16(13)19(24)22-15-6-7-18-17(12-15)23-20(25-18)14-8-10-21-11-9-14/h2-12H,1H3,(H,22,24).
What are the key properties of 2-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide?
2-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide has a molecular weight of 329.36 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide is sourced from PubChem (CID 699256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).