7-(4-methylpyrimidin-5-yl)-3-phenyl-1,2-benzoxazole

C18H13N3O — CID 71544263

IUPAC7-(4-methylpyrimidin-5-yl)-3-phenyl-1,2-benzoxazole
SMILESCc1ncncc1-c1cccc2c(-c3ccccc3)noc12
InChIInChI=1S/C18H13N3O/c1-12-16(10-19-11-20-12)14-8-5-9-15-17(21-22-18(14)15)13-6-3-2-4-7-13/h2-11H,1H3
InChIKeyRXIZMAUSOHFMGI-UHFFFAOYSA-N
MW287.32 g/mol
LogP4.26
Rot. Bonds2

About 7-(4-methylpyrimidin-5-yl)-3-phenyl-1,2-benzoxazole

7-(4-methylpyrimidin-5-yl)-3-phenyl-1,2-benzoxazole (PubChem CID 71544263) has the molecular formula C18H13N3O and a molecular weight of 287.32 g/mol. Its IUPAC name is 7-(4-methylpyrimidin-5-yl)-3-phenyl-1,2-benzoxazole.

Molecular Properties

Compound Name7-(4-methylpyrimidin-5-yl)-3-phenyl-1,2-benzoxazole
PubChem CID71544263
Molecular FormulaC18H13N3O
Molecular Weight287.32 g/mol
Exact Mass287.11
IUPAC Name7-(4-methylpyrimidin-5-yl)-3-phenyl-1,2-benzoxazole
SMILESCc1ncncc1-c1cccc2c(-c3ccccc3)noc12
InChIInChI=1S/C18H13N3O/c1-12-16(10-19-11-20-12)14-8-5-9-15-17(21-22-18(14)15)13-6-3-2-4-7-13/h2-11H,1H3
InChIKeyRXIZMAUSOHFMGI-UHFFFAOYSA-N
XLogP4.26
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methylpyrimidin-5-yl)-3-phenyl-1,2-benzoxazole?
The IUPAC name of 7-(4-methylpyrimidin-5-yl)-3-phenyl-1,2-benzoxazole (CID 71544263) is 7-(4-methylpyrimidin-5-yl)-3-phenyl-1,2-benzoxazole.
What is the SMILES notation for 7-(4-methylpyrimidin-5-yl)-3-phenyl-1,2-benzoxazole?
The canonical SMILES for 7-(4-methylpyrimidin-5-yl)-3-phenyl-1,2-benzoxazole is Cc1ncncc1-c1cccc2c(-c3ccccc3)noc12.
What is the InChIKey of 7-(4-methylpyrimidin-5-yl)-3-phenyl-1,2-benzoxazole?
The InChIKey is RXIZMAUSOHFMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O/c1-12-16(10-19-11-20-12)14-8-5-9-15-17(21-22-18(14)15)13-6-3-2-4-7-13/h2-11H,1H3.
What are the key properties of 7-(4-methylpyrimidin-5-yl)-3-phenyl-1,2-benzoxazole?
7-(4-methylpyrimidin-5-yl)-3-phenyl-1,2-benzoxazole has a molecular weight of 287.32 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylpyrimidin-5-yl)-3-phenyl-1,2-benzoxazole is sourced from PubChem (CID 71544263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).