7-(4-methoxy-3-pyridinyl)-3-phenyl-1,2-benzoxazole

C19H14N2O2 — CID 71544261

IUPAC7-(4-methoxy-3-pyridinyl)-3-phenyl-1,2-benzoxazole
SMILESCOc1ccncc1-c1cccc2c(-c3ccccc3)noc12
InChIInChI=1S/C19H14N2O2/c1-22-17-10-11-20-12-16(17)14-8-5-9-15-18(21-23-19(14)15)13-6-3-2-4-7-13/h2-12H,1H3
InChIKeyMSHWVHNGQHMIPZ-UHFFFAOYSA-N
MW302.33 g/mol
LogP4.57
Rot. Bonds3

About 7-(4-methoxy-3-pyridinyl)-3-phenyl-1,2-benzoxazole

7-(4-methoxy-3-pyridinyl)-3-phenyl-1,2-benzoxazole (PubChem CID 71544261) has the molecular formula C19H14N2O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is 7-(4-methoxy-3-pyridinyl)-3-phenyl-1,2-benzoxazole.

Molecular Properties

Compound Name7-(4-methoxy-3-pyridinyl)-3-phenyl-1,2-benzoxazole
PubChem CID71544261
Molecular FormulaC19H14N2O2
Molecular Weight302.33 g/mol
Exact Mass302.11
IUPAC Name7-(4-methoxy-3-pyridinyl)-3-phenyl-1,2-benzoxazole
SMILESCOc1ccncc1-c1cccc2c(-c3ccccc3)noc12
InChIInChI=1S/C19H14N2O2/c1-22-17-10-11-20-12-16(17)14-8-5-9-15-18(21-23-19(14)15)13-6-3-2-4-7-13/h2-12H,1H3
InChIKeyMSHWVHNGQHMIPZ-UHFFFAOYSA-N
XLogP4.57
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxy-3-pyridinyl)-3-phenyl-1,2-benzoxazole?
The IUPAC name of 7-(4-methoxy-3-pyridinyl)-3-phenyl-1,2-benzoxazole (CID 71544261) is 7-(4-methoxy-3-pyridinyl)-3-phenyl-1,2-benzoxazole.
What is the SMILES notation for 7-(4-methoxy-3-pyridinyl)-3-phenyl-1,2-benzoxazole?
The canonical SMILES for 7-(4-methoxy-3-pyridinyl)-3-phenyl-1,2-benzoxazole is COc1ccncc1-c1cccc2c(-c3ccccc3)noc12.
What is the InChIKey of 7-(4-methoxy-3-pyridinyl)-3-phenyl-1,2-benzoxazole?
The InChIKey is MSHWVHNGQHMIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2/c1-22-17-10-11-20-12-16(17)14-8-5-9-15-18(21-23-19(14)15)13-6-3-2-4-7-13/h2-12H,1H3.
What are the key properties of 7-(4-methoxy-3-pyridinyl)-3-phenyl-1,2-benzoxazole?
7-(4-methoxy-3-pyridinyl)-3-phenyl-1,2-benzoxazole has a molecular weight of 302.33 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxy-3-pyridinyl)-3-phenyl-1,2-benzoxazole is sourced from PubChem (CID 71544261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).