5-[(4-methylphenyl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole

C20H16N2O2 — CID 153469802

IUPAC5-[(4-methylphenyl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole
SMILESCc1ccc(COc2ccc3oc(-c4cccnc4)nc3c2)cc1
InChIInChI=1S/C20H16N2O2/c1-14-4-6-15(7-5-14)13-23-17-8-9-19-18(11-17)22-20(24-19)16-3-2-10-21-12-16/h2-12H,13H2,1H3
InChIKeyCBGOZGWLVGMOIY-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.78
Rot. Bonds4

About 5-[(4-methylphenyl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole

5-[(4-methylphenyl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole (PubChem CID 153469802) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 5-[(4-methylphenyl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole.

Molecular Properties

Compound Name5-[(4-methylphenyl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole
PubChem CID153469802
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name5-[(4-methylphenyl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole
SMILESCc1ccc(COc2ccc3oc(-c4cccnc4)nc3c2)cc1
InChIInChI=1S/C20H16N2O2/c1-14-4-6-15(7-5-14)13-23-17-8-9-19-18(11-17)22-20(24-19)16-3-2-10-21-12-16/h2-12H,13H2,1H3
InChIKeyCBGOZGWLVGMOIY-UHFFFAOYSA-N
XLogP4.78
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-methoxyphenyl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole
CID 118905169
5-[(5-methoxy-2-pyridinyl)oxymethyl]-2-pyridin-3-yl-1,3-benzoxazole
CID 118905305
5-[(5-butylpyrazin-2-yl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole
CID 153469818
5-[[5-(ethoxymethoxy)-2-pyridinyl]methoxy]-2-pyridin-3-yl-1,3-benzoxazole
CID 159177911
2-[4-[(4-methylphenyl)methoxy]phenyl]-1,3-benzoxazole
CID 91678637
5-methyl-2-(4-phenylmethoxyphenyl)-1,3-benzoxazole;2-methylpropane
CID 90914876
2-[2-[2-[2-[2-[[6-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)oxymethyl]-3-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 177055878
(3E,5E)-6-methyl-7-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)oxy]hepta-1,3,5-trien-3-ol
CID 145026011
3-[(4-methylphenyl)methoxy]pyridine
CID 58445986
(2R)-1-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)butan-2-ol
CID 97132954
4-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenoxy]methyl]aniline
CID 91678619
1-methyl-4-[5-(pyridin-3-ylmethoxy)-1,3-benzoxazol-2-yl]pyrazole-3-carbonitrile
CID 131979313

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylphenyl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole?
The IUPAC name of 5-[(4-methylphenyl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole (CID 153469802) is 5-[(4-methylphenyl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole.
What is the SMILES notation for 5-[(4-methylphenyl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole?
The canonical SMILES for 5-[(4-methylphenyl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole is Cc1ccc(COc2ccc3oc(-c4cccnc4)nc3c2)cc1.
What is the InChIKey of 5-[(4-methylphenyl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole?
The InChIKey is CBGOZGWLVGMOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c1-14-4-6-15(7-5-14)13-23-17-8-9-19-18(11-17)22-20(24-19)16-3-2-10-21-12-16/h2-12H,13H2,1H3.
What are the key properties of 5-[(4-methylphenyl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole?
5-[(4-methylphenyl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole has a molecular weight of 316.36 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylphenyl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole is sourced from PubChem (CID 153469802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).