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

C20H16N2O3 — CID 118905169

IUPAC5-[(4-methoxyphenyl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole
SMILESCOc1ccc(COc2ccc3oc(-c4cccnc4)nc3c2)cc1
InChIInChI=1S/C20H16N2O3/c1-23-16-6-4-14(5-7-16)13-24-17-8-9-19-18(11-17)22-20(25-19)15-3-2-10-21-12-15/h2-12H,13H2,1H3
InChIKeyMNHRARWXZWKQCG-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.48
Rot. Bonds5

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

5-[(4-methoxyphenyl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole (PubChem CID 118905169) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole
PubChem CID118905169
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Name5-[(4-methoxyphenyl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole
SMILESCOc1ccc(COc2ccc3oc(-c4cccnc4)nc3c2)cc1
InChIInChI=1S/C20H16N2O3/c1-23-16-6-4-14(5-7-16)13-24-17-8-9-19-18(11-17)22-20(25-19)15-3-2-10-21-12-15/h2-12H,13H2,1H3
InChIKeyMNHRARWXZWKQCG-UHFFFAOYSA-N
XLogP4.48
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-methylphenyl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole
CID 153469802
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-[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
1-[3-[5-[(5-methoxy-2-pyridinyl)methoxy]-1,3-benzoxazol-2-yl]phenyl]-N-methylmethanamine
CID 118905097
(2R)-1-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)butan-2-ol
CID 97132954
5-bromo-2-pyridin-3-yl-1,3-benzoxazole;(4-methoxyphenyl)boronic acid;5-(4-methoxyphenyl)-2-pyridin-3-yl-1,3-benzoxazole
CID 160671675
2-(5-bromo-3-pyridinyl)-5-methoxy-1,3-benzoxazole
CID 95910527
1-methyl-4-[5-(pyridin-3-ylmethoxy)-1,3-benzoxazol-2-yl]pyrazole-3-carbonitrile
CID 131979313
5-[(5-methoxy-2-pyridinyl)methoxy]-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazole
CID 118905431

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole?
The IUPAC name of 5-[(4-methoxyphenyl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole (CID 118905169) is 5-[(4-methoxyphenyl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole.
What is the SMILES notation for 5-[(4-methoxyphenyl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole?
The canonical SMILES for 5-[(4-methoxyphenyl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole is COc1ccc(COc2ccc3oc(-c4cccnc4)nc3c2)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole?
The InChIKey is MNHRARWXZWKQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c1-23-16-6-4-14(5-7-16)13-24-17-8-9-19-18(11-17)22-20(25-19)15-3-2-10-21-12-15/h2-12H,13H2,1H3.
What are the key properties of 5-[(4-methoxyphenyl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole?
5-[(4-methoxyphenyl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole has a molecular weight of 332.36 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole is sourced from PubChem (CID 118905169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).