7-(4-chloro-3-pyridinyl)-3-(2-methoxyphenyl)-1,2-benzoxazole

C19H13ClN2O2 — CID 89478776

IUPAC7-(4-chloro-3-pyridinyl)-3-(2-methoxyphenyl)-1,2-benzoxazole
SMILESCOc1ccccc1-c1noc2c(-c3cnccc3Cl)cccc12
InChIInChI=1S/C19H13ClN2O2/c1-23-17-8-3-2-5-13(17)18-14-7-4-6-12(19(14)24-22-18)15-11-21-10-9-16(15)20/h2-11H,1H3
InChIKeyBWFBKTSACTVCPD-UHFFFAOYSA-N
MW336.78 g/mol
LogP5.22
Rot. Bonds3

About 7-(4-chloro-3-pyridinyl)-3-(2-methoxyphenyl)-1,2-benzoxazole

7-(4-chloro-3-pyridinyl)-3-(2-methoxyphenyl)-1,2-benzoxazole (PubChem CID 89478776) has the molecular formula C19H13ClN2O2 and a molecular weight of 336.78 g/mol. Its IUPAC name is 7-(4-chloro-3-pyridinyl)-3-(2-methoxyphenyl)-1,2-benzoxazole.

Molecular Properties

Compound Name7-(4-chloro-3-pyridinyl)-3-(2-methoxyphenyl)-1,2-benzoxazole
PubChem CID89478776
Molecular FormulaC19H13ClN2O2
Molecular Weight336.78 g/mol
Exact Mass336.07
IUPAC Name7-(4-chloro-3-pyridinyl)-3-(2-methoxyphenyl)-1,2-benzoxazole
SMILESCOc1ccccc1-c1noc2c(-c3cnccc3Cl)cccc12
InChIInChI=1S/C19H13ClN2O2/c1-23-17-8-3-2-5-13(17)18-14-7-4-6-12(19(14)24-22-18)15-11-21-10-9-16(15)20/h2-11H,1H3
InChIKeyBWFBKTSACTVCPD-UHFFFAOYSA-N
XLogP5.22
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.78
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-chloro-3-pyridinyl)-3-(2-methoxyphenyl)-1,2-benzoxazole?
The IUPAC name of 7-(4-chloro-3-pyridinyl)-3-(2-methoxyphenyl)-1,2-benzoxazole (CID 89478776) is 7-(4-chloro-3-pyridinyl)-3-(2-methoxyphenyl)-1,2-benzoxazole.
What is the SMILES notation for 7-(4-chloro-3-pyridinyl)-3-(2-methoxyphenyl)-1,2-benzoxazole?
The canonical SMILES for 7-(4-chloro-3-pyridinyl)-3-(2-methoxyphenyl)-1,2-benzoxazole is COc1ccccc1-c1noc2c(-c3cnccc3Cl)cccc12.
What is the InChIKey of 7-(4-chloro-3-pyridinyl)-3-(2-methoxyphenyl)-1,2-benzoxazole?
The InChIKey is BWFBKTSACTVCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O2/c1-23-17-8-3-2-5-13(17)18-14-7-4-6-12(19(14)24-22-18)15-11-21-10-9-16(15)20/h2-11H,1H3.
What are the key properties of 7-(4-chloro-3-pyridinyl)-3-(2-methoxyphenyl)-1,2-benzoxazole?
7-(4-chloro-3-pyridinyl)-3-(2-methoxyphenyl)-1,2-benzoxazole has a molecular weight of 336.78 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chloro-3-pyridinyl)-3-(2-methoxyphenyl)-1,2-benzoxazole is sourced from PubChem (CID 89478776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).