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

C17H16FNO — CID 91104820

IUPAC3-(3-fluorophenyl)-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole
SMILESFc1cccc(C2=CC(CCc3ccccc3)ON2)c1
InChIInChI=1S/C17H16FNO/c18-15-8-4-7-14(11-15)17-12-16(20-19-17)10-9-13-5-2-1-3-6-13/h1-8,11-12,16,19H,9-10H2
InChIKeyWVBVORIBWDXECE-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.70
Rot. Bonds4

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

3-(3-fluorophenyl)-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole (PubChem CID 91104820) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(3-fluorophenyl)-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole
PubChem CID91104820
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Name3-(3-fluorophenyl)-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole
SMILESFc1cccc(C2=CC(CCc3ccccc3)ON2)c1
InChIInChI=1S/C17H16FNO/c18-15-8-4-7-14(11-15)17-12-16(20-19-17)10-9-13-5-2-1-3-6-13/h1-8,11-12,16,19H,9-10H2
InChIKeyWVBVORIBWDXECE-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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Related Compounds

3-[3-[5-(4-Fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]phenyl]prop-2-yn-1-ol
CID 56982800
5-(4-Fluorophenyl)-3-(3-iodophenyl)-2,5-dihydro-1,2-oxazole
CID 57249872
3-(4-Fluorophenyl)-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole
CID 90865219
1-cyclobutylidene-1-(4-fluorophenyl)-N-phenylmethoxymethanamine
CID 90896555
5-Benzyl-3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole
CID 90911263
1-(3-fluoro-4-methylphenyl)-N-phenylmethoxypent-1-en-1-amine
CID 90926595
5-[2,2,3,3,4,4,5,5,6,6,7,7,8,9,9,9-Hexadecafluoro-8-(trifluoromethyl)nonyl]-3-phenyl-2,5-dihydro-1,2-oxazole
CID 90941741
1-(4-fluorophenyl)-N-phenylmethoxybut-1-en-1-amine
CID 90954616
3-cyclopropyl-1-(4-fluorophenyl)-N-phenylmethoxyprop-1-en-1-amine
CID 91012287
5-benzyl-3-(2-fluorophenyl)-5-phenyl-2H-1,2-oxazole
CID 91027449
5-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluorononyl)-3-phenyl-2,5-dihydro-1,2-oxazole
CID 91040505
5-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Henicosafluoroundecyl)-3-phenyl-2,5-dihydro-1,2-oxazole
CID 91064460

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(3-fluorophenyl)-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole (CID 91104820) is 3-(3-fluorophenyl)-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(3-fluorophenyl)-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(3-fluorophenyl)-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole is Fc1cccc(C2=CC(CCc3ccccc3)ON2)c1.
What is the InChIKey of 3-(3-fluorophenyl)-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole?
The InChIKey is WVBVORIBWDXECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO/c18-15-8-4-7-14(11-15)17-12-16(20-19-17)10-9-13-5-2-1-3-6-13/h1-8,11-12,16,19H,9-10H2.
What are the key properties of 3-(3-fluorophenyl)-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole?
3-(3-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-(3-fluorophenyl)-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 91104820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).