7-(4-methyl-3-pyridinyl)-3-phenyl-1,2-benzoxazole

C19H14N2O — CID 71515497

IUPAC7-(4-methyl-3-pyridinyl)-3-phenyl-1,2-benzoxazole
SMILESCc1ccncc1-c1cccc2c(-c3ccccc3)noc12
InChIInChI=1S/C19H14N2O/c1-13-10-11-20-12-17(13)15-8-5-9-16-18(21-22-19(15)16)14-6-3-2-4-7-14/h2-12H,1H3
InChIKeyOQORIDVPVHCIRH-UHFFFAOYSA-N
MW286.33 g/mol
LogP4.87
Rot. Bonds2

About 7-(4-methyl-3-pyridinyl)-3-phenyl-1,2-benzoxazole

7-(4-methyl-3-pyridinyl)-3-phenyl-1,2-benzoxazole (PubChem CID 71515497) has the molecular formula C19H14N2O and a molecular weight of 286.33 g/mol. Its IUPAC name is 7-(4-methyl-3-pyridinyl)-3-phenyl-1,2-benzoxazole.

Molecular Properties

Compound Name7-(4-methyl-3-pyridinyl)-3-phenyl-1,2-benzoxazole
PubChem CID71515497
Molecular FormulaC19H14N2O
Molecular Weight286.33 g/mol
Exact Mass286.11
IUPAC Name7-(4-methyl-3-pyridinyl)-3-phenyl-1,2-benzoxazole
SMILESCc1ccncc1-c1cccc2c(-c3ccccc3)noc12
InChIInChI=1S/C19H14N2O/c1-13-10-11-20-12-17(13)15-8-5-9-16-18(21-22-19(15)16)14-6-3-2-4-7-14/h2-12H,1H3
InChIKeyOQORIDVPVHCIRH-UHFFFAOYSA-N
XLogP4.87
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-3-[1-[3-(5-fluoro-1H-indol-3-yl)propyl]piperidin-4-yl]-1,2-benzoxazole
CID 141745660
3-{3-[4-(1,2-Benzisoxazol-3-yl)piperidyl]propyl}-2-methylindole
CID 13078389
4-[3-(4-Fluorophenyl)-5-isopropylisoxazol-4-yl]pyridine
CID 16115351
5-methyl-6-phenyl-3-(pyridin-2-yl)isoxazolo[4,5-c]pyridin-4(5H)-one
CID 23579324
(R)-4-(3-(isoquinolin-6-yl)isoxazol-5-yl)-1-(4-(trifluoromethyl)phenyl)butan-2-amine
CID 46880294
3-(4-Fluorophenyl)-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole
CID 71544317
6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-phenylethyl)indol-1-yl]-N-hydroxyhexanamide
CID 141736086
6-[3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)indol-1-yl]-N-hydroxyhexanamide
CID 141736087
7-[3-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)indol-1-yl]-N-hydroxyheptanamide
CID 141736089
7-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(3-methylphenyl)methyl]indol-1-yl]-N-hydroxyheptanamide
CID 141736097
6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(3-methylphenyl)methyl]indol-1-yl]-N-hydroxyhexanamide
CID 141736100
7-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-phenylethyl)indol-1-yl]-N-hydroxyheptanamide
CID 141736101

Frequently Asked Questions

What is the IUPAC name of 7-(4-methyl-3-pyridinyl)-3-phenyl-1,2-benzoxazole?
The IUPAC name of 7-(4-methyl-3-pyridinyl)-3-phenyl-1,2-benzoxazole (CID 71515497) is 7-(4-methyl-3-pyridinyl)-3-phenyl-1,2-benzoxazole.
What is the SMILES notation for 7-(4-methyl-3-pyridinyl)-3-phenyl-1,2-benzoxazole?
The canonical SMILES for 7-(4-methyl-3-pyridinyl)-3-phenyl-1,2-benzoxazole is Cc1ccncc1-c1cccc2c(-c3ccccc3)noc12.
What is the InChIKey of 7-(4-methyl-3-pyridinyl)-3-phenyl-1,2-benzoxazole?
The InChIKey is OQORIDVPVHCIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O/c1-13-10-11-20-12-17(13)15-8-5-9-16-18(21-22-19(15)16)14-6-3-2-4-7-14/h2-12H,1H3.
What are the key properties of 7-(4-methyl-3-pyridinyl)-3-phenyl-1,2-benzoxazole?
7-(4-methyl-3-pyridinyl)-3-phenyl-1,2-benzoxazole has a molecular weight of 286.33 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methyl-3-pyridinyl)-3-phenyl-1,2-benzoxazole is sourced from PubChem (CID 71515497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).