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

C20H15N3O2 — CID 699259

IUPAC3-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
SMILESCc1cccc(C(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)c1
InChIInChI=1S/C20H15N3O2/c1-13-3-2-4-15(11-13)19(24)22-16-5-6-18-17(12-16)23-20(25-18)14-7-9-21-10-8-14/h2-12H,1H3,(H,22,24)
InChIKeyHXBZXKCDLYGLFA-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.45
Rot. Bonds3

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

3-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide (PubChem CID 699259) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 3-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide.

Molecular Properties

Compound Name3-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
PubChem CID699259
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name3-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
SMILESCc1cccc(C(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)c1
InChIInChI=1S/C20H15N3O2/c1-13-3-2-4-15(11-13)19(24)22-16-5-6-18-17(12-16)23-20(25-18)14-7-9-21-10-8-14/h2-12H,1H3,(H,22,24)
InChIKeyHXBZXKCDLYGLFA-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

2-(4-Aminophenyl)benzoxazol-5-amine
CID 614385
2-(3-Pyridyl)benzoxazole
CID 16803
2-(2-Methylphenyl)-1,3-benzoxazol-5-amine
CID 644436
N~2~-(2,3-Dichlorophenyl)-N-[2-(Pyridin-4-Yl)-1,3-Benzoxazol-5-Yl]-L-Alaninamide
CID 71662775
2-(1-Naphthyl)-1,3-benzoxazol-5-amine
CID 650480
2-(4-Ethylphenyl)-1,3-benzoxazol-5-amine
CID 721074
(2s)-2-(Naphthalen-1-Yloxy)-N-[2-(Pyridin-4-Yl)-1,3-Benzoxazol-5-Yl]propanamide
CID 71297189
2-chloro-N-[2-(5-methyl-3-pyridinyl)-1,3-benzoxazol-5-yl]-5-nitrobenzamide
CID 168286941
4-fluoro-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
CID 675056
N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
CID 921484
3-ethoxy-N-[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]benzamide
CID 1414353
2-(4-Dimethylamino-phenyl)-benzooxazol-5-ylamine
CID 735993

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide?
The IUPAC name of 3-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide (CID 699259) is 3-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide.
What is the SMILES notation for 3-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide?
The canonical SMILES for 3-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide is Cc1cccc(C(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)c1.
What is the InChIKey of 3-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide?
The InChIKey is HXBZXKCDLYGLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c1-13-3-2-4-15(11-13)19(24)22-16-5-6-18-17(12-16)23-20(25-18)14-7-9-21-10-8-14/h2-12H,1H3,(H,22,24).
What are the key properties of 3-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide?
3-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 3-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide is sourced from PubChem (CID 699259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).