3-(4-fluorophenyl)-5-[(4-fluorophenyl)methyl]-2,5-dihydro-1,2-oxazole

C16H13F2NO — CID 91396953

IUPAC3-(4-fluorophenyl)-5-[(4-fluorophenyl)methyl]-2,5-dihydro-1,2-oxazole
SMILESFc1ccc(CC2C=C(c3ccc(F)cc3)NO2)cc1
InChIInChI=1S/C16H13F2NO/c17-13-5-1-11(2-6-13)9-15-10-16(19-20-15)12-3-7-14(18)8-4-12/h1-8,10,15,19H,9H2
InChIKeyAXRVZGGPGFUDPA-UHFFFAOYSA-N
MW273.28 g/mol
LogP3.45
Rot. Bonds3

About 3-(4-fluorophenyl)-5-[(4-fluorophenyl)methyl]-2,5-dihydro-1,2-oxazole

3-(4-fluorophenyl)-5-[(4-fluorophenyl)methyl]-2,5-dihydro-1,2-oxazole (PubChem CID 91396953) has the molecular formula C16H13F2NO and a molecular weight of 273.28 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-[(4-fluorophenyl)methyl]-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-[(4-fluorophenyl)methyl]-2,5-dihydro-1,2-oxazole
PubChem CID91396953
Molecular FormulaC16H13F2NO
Molecular Weight273.28 g/mol
Exact Mass273.10
IUPAC Name3-(4-fluorophenyl)-5-[(4-fluorophenyl)methyl]-2,5-dihydro-1,2-oxazole
SMILESFc1ccc(CC2C=C(c3ccc(F)cc3)NO2)cc1
InChIInChI=1S/C16H13F2NO/c17-13-5-1-11(2-6-13)9-15-10-16(19-20-15)12-3-7-14(18)8-4-12/h1-8,10,15,19H,9H2
InChIKeyAXRVZGGPGFUDPA-UHFFFAOYSA-N
XLogP3.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 53.45
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-(2-Isothiocyanatoethyl)-4-phenyl-3-[2-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole
CID 57170019
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
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-(3,5-dimethylphenyl)-5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-2H-1,2-oxazole
CID 90892788

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-[(4-fluorophenyl)methyl]-2,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(4-fluorophenyl)-5-[(4-fluorophenyl)methyl]-2,5-dihydro-1,2-oxazole (CID 91396953) is 3-(4-fluorophenyl)-5-[(4-fluorophenyl)methyl]-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-[(4-fluorophenyl)methyl]-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-[(4-fluorophenyl)methyl]-2,5-dihydro-1,2-oxazole is Fc1ccc(CC2C=C(c3ccc(F)cc3)NO2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-5-[(4-fluorophenyl)methyl]-2,5-dihydro-1,2-oxazole?
The InChIKey is AXRVZGGPGFUDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO/c17-13-5-1-11(2-6-13)9-15-10-16(19-20-15)12-3-7-14(18)8-4-12/h1-8,10,15,19H,9H2.
What are the key properties of 3-(4-fluorophenyl)-5-[(4-fluorophenyl)methyl]-2,5-dihydro-1,2-oxazole?
3-(4-fluorophenyl)-5-[(4-fluorophenyl)methyl]-2,5-dihydro-1,2-oxazole has a molecular weight of 273.28 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-[(4-fluorophenyl)methyl]-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 91396953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).