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

C23H14FN3O — CID 1470893

IUPAC3-(4-fluorophenyl)-5-(2-phenylpyrimidin-4-yl)-2,1-benzoxazole
SMILESFc1ccc(-c2onc3ccc(-c4ccnc(-c5ccccc5)n4)cc23)cc1
InChIInChI=1S/C23H14FN3O/c24-18-9-6-15(7-10-18)22-19-14-17(8-11-21(19)27-28-22)20-12-13-25-23(26-20)16-4-2-1-3-5-16/h1-14H
InChIKeyUHVKHTYWDVQJKI-UHFFFAOYSA-N
MW367.38 g/mol
LogP5.76
Rot. Bonds3

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

3-(4-fluorophenyl)-5-(2-phenylpyrimidin-4-yl)-2,1-benzoxazole (PubChem CID 1470893) has the molecular formula C23H14FN3O and a molecular weight of 367.38 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-(2-phenylpyrimidin-4-yl)-2,1-benzoxazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-(2-phenylpyrimidin-4-yl)-2,1-benzoxazole
PubChem CID1470893
Molecular FormulaC23H14FN3O
Molecular Weight367.38 g/mol
Exact Mass367.11
IUPAC Name3-(4-fluorophenyl)-5-(2-phenylpyrimidin-4-yl)-2,1-benzoxazole
SMILESFc1ccc(-c2onc3ccc(-c4ccnc(-c5ccccc5)n4)cc23)cc1
InChIInChI=1S/C23H14FN3O/c24-18-9-6-15(7-10-18)22-19-14-17(8-11-21(19)27-28-22)20-12-13-25-23(26-20)16-4-2-1-3-5-16/h1-14H
InChIKeyUHVKHTYWDVQJKI-UHFFFAOYSA-N
XLogP5.76
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.38
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-(2-phenylpyrimidin-4-yl)-2,1-benzoxazole?
The IUPAC name of 3-(4-fluorophenyl)-5-(2-phenylpyrimidin-4-yl)-2,1-benzoxazole (CID 1470893) is 3-(4-fluorophenyl)-5-(2-phenylpyrimidin-4-yl)-2,1-benzoxazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-(2-phenylpyrimidin-4-yl)-2,1-benzoxazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-(2-phenylpyrimidin-4-yl)-2,1-benzoxazole is Fc1ccc(-c2onc3ccc(-c4ccnc(-c5ccccc5)n4)cc23)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-5-(2-phenylpyrimidin-4-yl)-2,1-benzoxazole?
The InChIKey is UHVKHTYWDVQJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14FN3O/c24-18-9-6-15(7-10-18)22-19-14-17(8-11-21(19)27-28-22)20-12-13-25-23(26-20)16-4-2-1-3-5-16/h1-14H.
What are the key properties of 3-(4-fluorophenyl)-5-(2-phenylpyrimidin-4-yl)-2,1-benzoxazole?
3-(4-fluorophenyl)-5-(2-phenylpyrimidin-4-yl)-2,1-benzoxazole has a molecular weight of 367.38 g/mol, XLogP of 5.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-(2-phenylpyrimidin-4-yl)-2,1-benzoxazole is sourced from PubChem (CID 1470893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).