7-(4-cyclopropylpyrimidin-5-yl)-3-(4-fluorophenyl)-1,2-benzoxazole

C20H14FN3O — CID 89478638

IUPAC7-(4-cyclopropylpyrimidin-5-yl)-3-(4-fluorophenyl)-1,2-benzoxazole
SMILESFc1ccc(-c2noc3c(-c4cncnc4C4CC4)cccc23)cc1
InChIInChI=1S/C20H14FN3O/c21-14-8-6-13(7-9-14)19-16-3-1-2-15(20(16)25-24-19)17-10-22-11-23-18(17)12-4-5-12/h1-3,6-12H,4-5H2
InChIKeySBESNRRZINZOAV-UHFFFAOYSA-N
MW331.35 g/mol
LogP4.97
Rot. Bonds3

About 7-(4-cyclopropylpyrimidin-5-yl)-3-(4-fluorophenyl)-1,2-benzoxazole

7-(4-cyclopropylpyrimidin-5-yl)-3-(4-fluorophenyl)-1,2-benzoxazole (PubChem CID 89478638) has the molecular formula C20H14FN3O and a molecular weight of 331.35 g/mol. Its IUPAC name is 7-(4-cyclopropylpyrimidin-5-yl)-3-(4-fluorophenyl)-1,2-benzoxazole.

Molecular Properties

Compound Name7-(4-cyclopropylpyrimidin-5-yl)-3-(4-fluorophenyl)-1,2-benzoxazole
PubChem CID89478638
Molecular FormulaC20H14FN3O
Molecular Weight331.35 g/mol
Exact Mass331.11
IUPAC Name7-(4-cyclopropylpyrimidin-5-yl)-3-(4-fluorophenyl)-1,2-benzoxazole
SMILESFc1ccc(-c2noc3c(-c4cncnc4C4CC4)cccc23)cc1
InChIInChI=1S/C20H14FN3O/c21-14-8-6-13(7-9-14)19-16-3-1-2-15(20(16)25-24-19)17-10-22-11-23-18(17)12-4-5-12/h1-3,6-12H,4-5H2
InChIKeySBESNRRZINZOAV-UHFFFAOYSA-N
XLogP4.97
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-cyclopropylpyrimidin-5-yl)-3-(4-fluorophenyl)-1,2-benzoxazole?
The IUPAC name of 7-(4-cyclopropylpyrimidin-5-yl)-3-(4-fluorophenyl)-1,2-benzoxazole (CID 89478638) is 7-(4-cyclopropylpyrimidin-5-yl)-3-(4-fluorophenyl)-1,2-benzoxazole.
What is the SMILES notation for 7-(4-cyclopropylpyrimidin-5-yl)-3-(4-fluorophenyl)-1,2-benzoxazole?
The canonical SMILES for 7-(4-cyclopropylpyrimidin-5-yl)-3-(4-fluorophenyl)-1,2-benzoxazole is Fc1ccc(-c2noc3c(-c4cncnc4C4CC4)cccc23)cc1.
What is the InChIKey of 7-(4-cyclopropylpyrimidin-5-yl)-3-(4-fluorophenyl)-1,2-benzoxazole?
The InChIKey is SBESNRRZINZOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O/c21-14-8-6-13(7-9-14)19-16-3-1-2-15(20(16)25-24-19)17-10-22-11-23-18(17)12-4-5-12/h1-3,6-12H,4-5H2.
What are the key properties of 7-(4-cyclopropylpyrimidin-5-yl)-3-(4-fluorophenyl)-1,2-benzoxazole?
7-(4-cyclopropylpyrimidin-5-yl)-3-(4-fluorophenyl)-1,2-benzoxazole has a molecular weight of 331.35 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-cyclopropylpyrimidin-5-yl)-3-(4-fluorophenyl)-1,2-benzoxazole is sourced from PubChem (CID 89478638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).