(4E)-4-(3-fluorobut-3-en-2-ylidene)-5-methylidene-1,3-oxazole

C8H8FNO — CID 156867724

IUPAC(4E)-4-(3-fluorobut-3-en-2-ylidene)-5-methylidene-1,3-oxazole
SMILESC=C(F)/C(C)=c1/ncoc1=C
InChIInChI=1S/C8H8FNO/c1-5(6(2)9)8-7(3)11-4-10-8/h4H,2-3H2,1H3/b8-5+
InChIKeyBLBUJYIHADCWTE-VMPITWQZSA-N
MW153.16 g/mol
LogP0.74
Rot. Bonds1

About (4E)-4-(3-fluorobut-3-en-2-ylidene)-5-methylidene-1,3-oxazole

(4E)-4-(3-fluorobut-3-en-2-ylidene)-5-methylidene-1,3-oxazole (PubChem CID 156867724) has the molecular formula C8H8FNO and a molecular weight of 153.16 g/mol. Its IUPAC name is (4E)-4-(3-fluorobut-3-en-2-ylidene)-5-methylidene-1,3-oxazole.

Molecular Properties

Compound Name(4E)-4-(3-fluorobut-3-en-2-ylidene)-5-methylidene-1,3-oxazole
PubChem CID156867724
Molecular FormulaC8H8FNO
Molecular Weight153.16 g/mol
Exact Mass153.06
IUPAC Name(4E)-4-(3-fluorobut-3-en-2-ylidene)-5-methylidene-1,3-oxazole
SMILESC=C(F)/C(C)=c1/ncoc1=C
InChIInChI=1S/C8H8FNO/c1-5(6(2)9)8-7(3)11-4-10-8/h4H,2-3H2,1H3/b8-5+
InChIKeyBLBUJYIHADCWTE-VMPITWQZSA-N
XLogP0.74
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.16
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4E)-4-(3-fluorobut-3-en-2-ylidene)-5-methylidene-1,3-oxazole?
The IUPAC name of (4E)-4-(3-fluorobut-3-en-2-ylidene)-5-methylidene-1,3-oxazole (CID 156867724) is (4E)-4-(3-fluorobut-3-en-2-ylidene)-5-methylidene-1,3-oxazole.
What is the SMILES notation for (4E)-4-(3-fluorobut-3-en-2-ylidene)-5-methylidene-1,3-oxazole?
The canonical SMILES for (4E)-4-(3-fluorobut-3-en-2-ylidene)-5-methylidene-1,3-oxazole is C=C(F)/C(C)=c1/ncoc1=C.
What is the InChIKey of (4E)-4-(3-fluorobut-3-en-2-ylidene)-5-methylidene-1,3-oxazole?
The InChIKey is BLBUJYIHADCWTE-VMPITWQZSA-N. The full InChI is InChI=1S/C8H8FNO/c1-5(6(2)9)8-7(3)11-4-10-8/h4H,2-3H2,1H3/b8-5+.
What are the key properties of (4E)-4-(3-fluorobut-3-en-2-ylidene)-5-methylidene-1,3-oxazole?
(4E)-4-(3-fluorobut-3-en-2-ylidene)-5-methylidene-1,3-oxazole has a molecular weight of 153.16 g/mol, XLogP of 0.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-(3-fluorobut-3-en-2-ylidene)-5-methylidene-1,3-oxazole is sourced from PubChem (CID 156867724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).