3-[(4-methoxyphenyl)methoxy]-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole

C21H18N2O3 — CID 71544431

IUPAC3-[(4-methoxyphenyl)methoxy]-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole
SMILESCOc1ccc(COc2noc3c(-c4cnccc4C)cccc23)cc1
InChIInChI=1S/C21H18N2O3/c1-14-10-11-22-12-19(14)17-4-3-5-18-20(17)26-23-21(18)25-13-15-6-8-16(24-2)9-7-15/h3-12H,13H2,1-2H3
InChIKeyDTWDEKUHGNISFQ-UHFFFAOYSA-N
MW346.39 g/mol
LogP4.79
Rot. Bonds5

About 3-[(4-methoxyphenyl)methoxy]-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole

3-[(4-methoxyphenyl)methoxy]-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole (PubChem CID 71544431) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methoxy]-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methoxy]-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole
PubChem CID71544431
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Name3-[(4-methoxyphenyl)methoxy]-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole
SMILESCOc1ccc(COc2noc3c(-c4cnccc4C)cccc23)cc1
InChIInChI=1S/C21H18N2O3/c1-14-10-11-22-12-19(14)17-4-3-5-18-20(17)26-23-21(18)25-13-15-6-8-16(24-2)9-7-15/h3-12H,13H2,1-2H3
InChIKeyDTWDEKUHGNISFQ-UHFFFAOYSA-N
XLogP4.79
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(6-Methoxyisoquinolin-5-yl)phenoxy]furo[3,2-c]pyridine
CID 130442561
4-[(2,6-dimethylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine
CID 139409533
4-[(3-methylphenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine
CID 139409728
(4-Methoxyphenyl)-[2-(4-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)-1-benzofuran-3-yl]methanone
CID 24747827
Isupsl-cho-2-120-S1-2
CID 24747885
Propyl 2-(4-methoxyphenyl)-5-(6-methoxypyridin-3-yl)benzofuran-3-carboxylate
CID 24818794
(5,7-Dipropyl-3-trifluoromethyl-benzo[d]isoxazol-6-yloxy)-[4-(2-pyridin-2-yl-ethyl)-phenyl]-acetic acid
CID 44337866
4-[2-(Piperidin-1-ylmethyl)phenoxy]furo[3,2-c]pyridine
CID 56710120
4-{2-[(4-Methylpiperazin-1-yl)methyl]phenoxy}furo[3,2-c]pyridine
CID 56715036
3-[2-(4-Methoxyphenyl)-1-benzofuran-3-yl]pyridine
CID 145955911
2-[[5-(2-Chlorophenyl)-1,2-benzoxazol-3-yl]oxy]-2-pyridin-2-ylethanamine
CID 155532313
4-Benzyloxy-2-(5-methyl-3-phenyl-isoxazol-4-ylmethoxy)-pyridine
CID 42629071

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methoxy]-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole?
The IUPAC name of 3-[(4-methoxyphenyl)methoxy]-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole (CID 71544431) is 3-[(4-methoxyphenyl)methoxy]-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole.
What is the SMILES notation for 3-[(4-methoxyphenyl)methoxy]-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole?
The canonical SMILES for 3-[(4-methoxyphenyl)methoxy]-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole is COc1ccc(COc2noc3c(-c4cnccc4C)cccc23)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methoxy]-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole?
The InChIKey is DTWDEKUHGNISFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c1-14-10-11-22-12-19(14)17-4-3-5-18-20(17)26-23-21(18)25-13-15-6-8-16(24-2)9-7-15/h3-12H,13H2,1-2H3.
What are the key properties of 3-[(4-methoxyphenyl)methoxy]-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole?
3-[(4-methoxyphenyl)methoxy]-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole has a molecular weight of 346.39 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methoxy]-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole is sourced from PubChem (CID 71544431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).