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

C19H19F2NO — CID 57118295

IUPAC3-[4,4-bis(4-fluorophenyl)butyl]-2,5-dihydro-1,2-oxazole
SMILESFc1ccc(C(CCCC2=CCON2)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H19F2NO/c20-16-8-4-14(5-9-16)19(15-6-10-17(21)11-7-15)3-1-2-18-12-13-23-22-18/h4-12,19,22H,1-3,13H2
InChIKeyKCBBMUUBJIJSJN-UHFFFAOYSA-N
MW315.36 g/mol
LogP4.69
Rot. Bonds6

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

3-[4,4-bis(4-fluorophenyl)butyl]-2,5-dihydro-1,2-oxazole (PubChem CID 57118295) has the molecular formula C19H19F2NO and a molecular weight of 315.36 g/mol. Its IUPAC name is 3-[4,4-bis(4-fluorophenyl)butyl]-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-[4,4-bis(4-fluorophenyl)butyl]-2,5-dihydro-1,2-oxazole
PubChem CID57118295
Molecular FormulaC19H19F2NO
Molecular Weight315.36 g/mol
Exact Mass315.14
IUPAC Name3-[4,4-bis(4-fluorophenyl)butyl]-2,5-dihydro-1,2-oxazole
SMILESFc1ccc(C(CCCC2=CCON2)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H19F2NO/c20-16-8-4-14(5-9-16)19(15-6-10-17(21)11-7-15)3-1-2-18-12-13-23-22-18/h4-12,19,22H,1-3,13H2
InChIKeyKCBBMUUBJIJSJN-UHFFFAOYSA-N
XLogP4.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-(4-Fluorocyclohexa-2,4-dien-1-yl)-7-(4-fluorophenyl)hept-1-en-2-amine
CID 70323326
N-[3-[4-[4-(2,4,5-trifluorophenyl)butyl]phenyl]prop-1-en-2-yl]hydroxylamine
CID 88267426
5-[(4-Fluorophenyl)methyl]-3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole
CID 91243107
3-[(3-Fluorophenyl)methyl]-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole
CID 91455781
N-ethoxy-1-[2-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]ethenamine
CID 123505490
2,2-diphenyl-N-(2,2,2-trifluoroethoxy)ethanamine
CID 107292755
3-Benzyl-2,5-dihydro-1,2-oxazole
CID 57044806
3-(3-Phenylpropyl)-2,5-dihydro-1,2-oxazole
CID 57062385
3-(4,4-Diphenylbutyl)-2,5-dihydro-1,2-oxazole
CID 57185312
3-(2-Phenylethyl)-2,5-dihydro-1,2-oxazole
CID 57252224
3,5-Bis(2-phenylethyl)-2,5-dihydro-1,2-oxazole
CID 90947063
3-Benzyl-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole
CID 91605279

Frequently Asked Questions

What is the IUPAC name of 3-[4,4-bis(4-fluorophenyl)butyl]-2,5-dihydro-1,2-oxazole?
The IUPAC name of 3-[4,4-bis(4-fluorophenyl)butyl]-2,5-dihydro-1,2-oxazole (CID 57118295) is 3-[4,4-bis(4-fluorophenyl)butyl]-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-[4,4-bis(4-fluorophenyl)butyl]-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-[4,4-bis(4-fluorophenyl)butyl]-2,5-dihydro-1,2-oxazole is Fc1ccc(C(CCCC2=CCON2)c2ccc(F)cc2)cc1.
What is the InChIKey of 3-[4,4-bis(4-fluorophenyl)butyl]-2,5-dihydro-1,2-oxazole?
The InChIKey is KCBBMUUBJIJSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO/c20-16-8-4-14(5-9-16)19(15-6-10-17(21)11-7-15)3-1-2-18-12-13-23-22-18/h4-12,19,22H,1-3,13H2.
What are the key properties of 3-[4,4-bis(4-fluorophenyl)butyl]-2,5-dihydro-1,2-oxazole?
3-[4,4-bis(4-fluorophenyl)butyl]-2,5-dihydro-1,2-oxazole has a molecular weight of 315.36 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4,4-bis(4-fluorophenyl)butyl]-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 57118295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).