(2E)-4,5-bis(4-fluorophenyl)-3-[3-(2-fluorophenyl)propyl]-2-propylidene-1,3-oxazole

C27H24F3NO — CID 143692656

IUPAC(2E)-4,5-bis(4-fluorophenyl)-3-[3-(2-fluorophenyl)propyl]-2-propylidene-1,3-oxazole
SMILESCC/C=C1/OC(c2ccc(F)cc2)=C(c2ccc(F)cc2)N1CCCc1ccccc1F
InChIInChI=1S/C27H24F3NO/c1-2-6-25-31(18-5-8-19-7-3-4-9-24(19)30)26(20-10-14-22(28)15-11-20)27(32-25)21-12-16-23(29)17-13-21/h3-4,6-7,9-17H,2,5,8,18H2,1H3/b25-6+
InChIKeyGJIPMWXZFAGGMP-KXEZBXAJSA-N
MW435.49 g/mol
LogP7.15
Rot. Bonds7

About (2E)-4,5-bis(4-fluorophenyl)-3-[3-(2-fluorophenyl)propyl]-2-propylidene-1,3-oxazole

(2E)-4,5-bis(4-fluorophenyl)-3-[3-(2-fluorophenyl)propyl]-2-propylidene-1,3-oxazole (PubChem CID 143692656) has the molecular formula C27H24F3NO and a molecular weight of 435.49 g/mol. Its IUPAC name is (2E)-4,5-bis(4-fluorophenyl)-3-[3-(2-fluorophenyl)propyl]-2-propylidene-1,3-oxazole.

Molecular Properties

Compound Name(2E)-4,5-bis(4-fluorophenyl)-3-[3-(2-fluorophenyl)propyl]-2-propylidene-1,3-oxazole
PubChem CID143692656
Molecular FormulaC27H24F3NO
Molecular Weight435.49 g/mol
Exact Mass435.18
IUPAC Name(2E)-4,5-bis(4-fluorophenyl)-3-[3-(2-fluorophenyl)propyl]-2-propylidene-1,3-oxazole
SMILESCC/C=C1/OC(c2ccc(F)cc2)=C(c2ccc(F)cc2)N1CCCc1ccccc1F
InChIInChI=1S/C27H24F3NO/c1-2-6-25-31(18-5-8-19-7-3-4-9-24(19)30)26(20-10-14-22(28)15-11-20)27(32-25)21-12-16-23(29)17-13-21/h3-4,6-7,9-17H,2,5,8,18H2,1H3/b25-6+
InChIKeyGJIPMWXZFAGGMP-KXEZBXAJSA-N
XLogP7.15
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.49
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

CID 12345610
CID 12345610
CID 15099819
CID 15099819
CID 60170469
CID 60170469
CID 15322137
CID 15322137
CID 12681028
CID 12681028
CID 11602714
CID 11602714
CID 11638697
CID 11638697
CID 18701502
CID 18701502
CID 18970430
CID 18970430
CID 18970431
CID 18970431
CID 18970455
CID 18970455
CID 53860605
CID 53860605

Frequently Asked Questions

What is the IUPAC name of (2E)-4,5-bis(4-fluorophenyl)-3-[3-(2-fluorophenyl)propyl]-2-propylidene-1,3-oxazole?
The IUPAC name of (2E)-4,5-bis(4-fluorophenyl)-3-[3-(2-fluorophenyl)propyl]-2-propylidene-1,3-oxazole (CID 143692656) is (2E)-4,5-bis(4-fluorophenyl)-3-[3-(2-fluorophenyl)propyl]-2-propylidene-1,3-oxazole.
What is the SMILES notation for (2E)-4,5-bis(4-fluorophenyl)-3-[3-(2-fluorophenyl)propyl]-2-propylidene-1,3-oxazole?
The canonical SMILES for (2E)-4,5-bis(4-fluorophenyl)-3-[3-(2-fluorophenyl)propyl]-2-propylidene-1,3-oxazole is CC/C=C1/OC(c2ccc(F)cc2)=C(c2ccc(F)cc2)N1CCCc1ccccc1F.
What is the InChIKey of (2E)-4,5-bis(4-fluorophenyl)-3-[3-(2-fluorophenyl)propyl]-2-propylidene-1,3-oxazole?
The InChIKey is GJIPMWXZFAGGMP-KXEZBXAJSA-N. The full InChI is InChI=1S/C27H24F3NO/c1-2-6-25-31(18-5-8-19-7-3-4-9-24(19)30)26(20-10-14-22(28)15-11-20)27(32-25)21-12-16-23(29)17-13-21/h3-4,6-7,9-17H,2,5,8,18H2,1H3/b25-6+.
What are the key properties of (2E)-4,5-bis(4-fluorophenyl)-3-[3-(2-fluorophenyl)propyl]-2-propylidene-1,3-oxazole?
(2E)-4,5-bis(4-fluorophenyl)-3-[3-(2-fluorophenyl)propyl]-2-propylidene-1,3-oxazole has a molecular weight of 435.49 g/mol, XLogP of 7.15, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4,5-bis(4-fluorophenyl)-3-[3-(2-fluorophenyl)propyl]-2-propylidene-1,3-oxazole is sourced from PubChem (CID 143692656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).