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

C16H14FNO — CID 91419881

IUPAC5-benzyl-3-(3-fluorophenyl)-2,5-dihydro-1,2-oxazole
SMILESFc1cccc(C2=CC(Cc3ccccc3)ON2)c1
InChIInChI=1S/C16H14FNO/c17-14-8-4-7-13(10-14)16-11-15(19-18-16)9-12-5-2-1-3-6-12/h1-8,10-11,15,18H,9H2
InChIKeyFZPROCBWFPIMHB-UHFFFAOYSA-N
MW255.29 g/mol
LogP3.31
Rot. Bonds3

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

5-benzyl-3-(3-fluorophenyl)-2,5-dihydro-1,2-oxazole (PubChem CID 91419881) has the molecular formula C16H14FNO and a molecular weight of 255.29 g/mol. Its IUPAC name is 5-benzyl-3-(3-fluorophenyl)-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-benzyl-3-(3-fluorophenyl)-2,5-dihydro-1,2-oxazole
PubChem CID91419881
Molecular FormulaC16H14FNO
Molecular Weight255.29 g/mol
Exact Mass255.11
IUPAC Name5-benzyl-3-(3-fluorophenyl)-2,5-dihydro-1,2-oxazole
SMILESFc1cccc(C2=CC(Cc3ccccc3)ON2)c1
InChIInChI=1S/C16H14FNO/c17-14-8-4-7-13(10-14)16-11-15(19-18-16)9-12-5-2-1-3-6-12/h1-8,10-11,15,18H,9H2
InChIKeyFZPROCBWFPIMHB-UHFFFAOYSA-N
XLogP3.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 53.31
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
1-[3,5-bis(trifluoromethyl)phenyl]-N-phenylmethoxyethenamine
CID 57100784
5-(4-Fluorophenyl)-3-(3-iodophenyl)-2,5-dihydro-1,2-oxazole
CID 57249872
5-(3-Bromophenyl)-3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole
CID 57308955
3-fluoro-N-phenylmethoxyaniline
CID 59957349
(2-Fluoro-benzyloxy)-benzylamine
CID 86761305
2-fluoro-N-(2-phenylethoxy)aniline
CID 87170394
N-[fluoro(phenyl)methoxy]aniline
CID 87377775
1-(4-fluorophenyl)-N-[2-(4-fluorophenyl)ethoxy]methanamine
CID 88102118
3-(4-fluorophenyl)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-2H-1,2-oxazole
CID 90810848
3-(4-Fluorophenyl)-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole
CID 90865219
5-[(4-Fluorophenyl)methyl]-3-(4-nitrophenyl)-2,5-dihydro-1,2-oxazole
CID 90892902

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-(3-fluorophenyl)-2,5-dihydro-1,2-oxazole?
The IUPAC name of 5-benzyl-3-(3-fluorophenyl)-2,5-dihydro-1,2-oxazole (CID 91419881) is 5-benzyl-3-(3-fluorophenyl)-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-benzyl-3-(3-fluorophenyl)-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-benzyl-3-(3-fluorophenyl)-2,5-dihydro-1,2-oxazole is Fc1cccc(C2=CC(Cc3ccccc3)ON2)c1.
What is the InChIKey of 5-benzyl-3-(3-fluorophenyl)-2,5-dihydro-1,2-oxazole?
The InChIKey is FZPROCBWFPIMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO/c17-14-8-4-7-13(10-14)16-11-15(19-18-16)9-12-5-2-1-3-6-12/h1-8,10-11,15,18H,9H2.
What are the key properties of 5-benzyl-3-(3-fluorophenyl)-2,5-dihydro-1,2-oxazole?
5-benzyl-3-(3-fluorophenyl)-2,5-dihydro-1,2-oxazole has a molecular weight of 255.29 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-(3-fluorophenyl)-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 91419881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).