3-(4-fluorophenyl)-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole

C17H16FNO — CID 90865219

IUPAC3-(4-fluorophenyl)-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole
SMILESFc1ccc(C2=CC(CCc3ccccc3)ON2)cc1
InChIInChI=1S/C17H16FNO/c18-15-9-7-14(8-10-15)17-12-16(20-19-17)11-6-13-4-2-1-3-5-13/h1-5,7-10,12,16,19H,6,11H2
InChIKeyYHPRPGNQYJGWKQ-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.70
Rot. Bonds4

About 3-(4-fluorophenyl)-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole

3-(4-fluorophenyl)-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole (PubChem CID 90865219) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole
PubChem CID90865219
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Name3-(4-fluorophenyl)-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole
SMILESFc1ccc(C2=CC(CCc3ccccc3)ON2)cc1
InChIInChI=1S/C17H16FNO/c18-15-9-7-14(8-10-15)17-12-16(20-19-17)11-6-13-4-2-1-3-5-13/h1-5,7-10,12,16,19H,6,11H2
InChIKeyYHPRPGNQYJGWKQ-UHFFFAOYSA-N
XLogP3.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(4-fluorophenyl)-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole (CID 90865219) is 3-(4-fluorophenyl)-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole is Fc1ccc(C2=CC(CCc3ccccc3)ON2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole?
The InChIKey is YHPRPGNQYJGWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO/c18-15-9-7-14(8-10-15)17-12-16(20-19-17)11-6-13-4-2-1-3-5-13/h1-5,7-10,12,16,19H,6,11H2.
What are the key properties of 3-(4-fluorophenyl)-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole?
3-(4-fluorophenyl)-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole has a molecular weight of 269.32 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 90865219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).