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

C15H11F2NO — CID 11357385

IUPAC3,5-bis(4-fluorophenyl)-4,5-dihydro-1,2-oxazole
SMILESFc1ccc(C2=NOC(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C15H11F2NO/c16-12-5-1-10(2-6-12)14-9-15(19-18-14)11-3-7-13(17)8-4-11/h1-8,15H,9H2
InChIKeyKANCJHOTYIMBRQ-UHFFFAOYSA-N
MW259.26 g/mol
LogP3.83
Rot. Bonds2

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

3,5-bis(4-fluorophenyl)-4,5-dihydro-1,2-oxazole (PubChem CID 11357385) has the molecular formula C15H11F2NO and a molecular weight of 259.26 g/mol. Its IUPAC name is 3,5-bis(4-fluorophenyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3,5-bis(4-fluorophenyl)-4,5-dihydro-1,2-oxazole
PubChem CID11357385
Molecular FormulaC15H11F2NO
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name3,5-bis(4-fluorophenyl)-4,5-dihydro-1,2-oxazole
SMILESFc1ccc(C2=NOC(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C15H11F2NO/c16-12-5-1-10(2-6-12)14-9-15(19-18-14)11-3-7-13(17)8-4-11/h1-8,15H,9H2
InChIKeyKANCJHOTYIMBRQ-UHFFFAOYSA-N
XLogP3.83
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Cupron
CID 5354084
(+-)-Benzoin oxime
CID 9924
(5R)-5-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 71561968
(5R)-5-benzyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 71561970
(5R)-5-benzyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 71561972
Isoxazole, 4,5-dihydro-3,5-diphenyl-
CID 98238
(5R)-5-benzyl-3-phenyl-4,5-dihydro-1,2-oxazole
CID 71561450
(5S)-5-benzyl-3-phenyl-4,5-dihydro-1,2-oxazole
CID 71561453
(5S)-5-benzyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 71561971
(5S)-5-benzyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 71562089
O-[(3,5-difluorophenyl)-phenylmethyl]hydroxylamine;hydrochloride
CID 155562131
O-[bis(4-fluorophenyl)methyl]hydroxylamine;hydrochloride
CID 22989786

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(4-fluorophenyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3,5-bis(4-fluorophenyl)-4,5-dihydro-1,2-oxazole (CID 11357385) is 3,5-bis(4-fluorophenyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3,5-bis(4-fluorophenyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3,5-bis(4-fluorophenyl)-4,5-dihydro-1,2-oxazole is Fc1ccc(C2=NOC(c3ccc(F)cc3)C2)cc1.
What is the InChIKey of 3,5-bis(4-fluorophenyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is KANCJHOTYIMBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO/c16-12-5-1-10(2-6-12)14-9-15(19-18-14)11-3-7-13(17)8-4-11/h1-8,15H,9H2.
What are the key properties of 3,5-bis(4-fluorophenyl)-4,5-dihydro-1,2-oxazole?
3,5-bis(4-fluorophenyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 259.26 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(4-fluorophenyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 11357385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).