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

C20H15ClN2O2 — CID 71544430

IUPAC3-[(4-chlorophenyl)methoxy]-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole
SMILESCc1ccncc1-c1cccc2c(OCc3ccc(Cl)cc3)noc12
InChIInChI=1S/C20H15ClN2O2/c1-13-9-10-22-11-18(13)16-3-2-4-17-19(16)25-23-20(17)24-12-14-5-7-15(21)8-6-14/h2-11H,12H2,1H3
InChIKeySCOWBUGNRMASSY-UHFFFAOYSA-N
MW350.81 g/mol
LogP5.43
Rot. Bonds4

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

3-[(4-chlorophenyl)methoxy]-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole (PubChem CID 71544430) has the molecular formula C20H15ClN2O2 and a molecular weight of 350.81 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methoxy]-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methoxy]-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole
PubChem CID71544430
Molecular FormulaC20H15ClN2O2
Molecular Weight350.81 g/mol
Exact Mass350.08
IUPAC Name3-[(4-chlorophenyl)methoxy]-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole
SMILESCc1ccncc1-c1cccc2c(OCc3ccc(Cl)cc3)noc12
InChIInChI=1S/C20H15ClN2O2/c1-13-9-10-22-11-18(13)16-3-2-4-17-19(16)25-23-20(17)24-12-14-5-7-15(21)8-6-14/h2-11H,12H2,1H3
InChIKeySCOWBUGNRMASSY-UHFFFAOYSA-N
XLogP5.43
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.81
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methoxy]-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole?
The IUPAC name of 3-[(4-chlorophenyl)methoxy]-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole (CID 71544430) is 3-[(4-chlorophenyl)methoxy]-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole.
What is the SMILES notation for 3-[(4-chlorophenyl)methoxy]-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole?
The canonical SMILES for 3-[(4-chlorophenyl)methoxy]-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole is Cc1ccncc1-c1cccc2c(OCc3ccc(Cl)cc3)noc12.
What is the InChIKey of 3-[(4-chlorophenyl)methoxy]-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole?
The InChIKey is SCOWBUGNRMASSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O2/c1-13-9-10-22-11-18(13)16-3-2-4-17-19(16)25-23-20(17)24-12-14-5-7-15(21)8-6-14/h2-11H,12H2,1H3.
What are the key properties of 3-[(4-chlorophenyl)methoxy]-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole?
3-[(4-chlorophenyl)methoxy]-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole has a molecular weight of 350.81 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methoxy]-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole is sourced from PubChem (CID 71544430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).