(E)-4-[(2-butyl-1,3-benzoxazol-6-yl)oxy]-3-fluorobut-2-en-1-amine

C15H19FN2O2 — CID 146454014

IUPAC(E)-4-[(2-butyl-1,3-benzoxazol-6-yl)oxy]-3-fluorobut-2-en-1-amine
SMILESCCCCc1nc2ccc(OC/C(F)=C\CN)cc2o1
InChIInChI=1S/C15H19FN2O2/c1-2-3-4-15-18-13-6-5-12(9-14(13)20-15)19-10-11(16)7-8-17/h5-7,9H,2-4,8,10,17H2,1H3/b11-7+
InChIKeyCPXDXJRSCYKMGN-YRNVUSSQSA-N
MW278.33 g/mol
LogP3.36
Rot. Bonds7

About (E)-4-[(2-butyl-1,3-benzoxazol-6-yl)oxy]-3-fluorobut-2-en-1-amine

(E)-4-[(2-butyl-1,3-benzoxazol-6-yl)oxy]-3-fluorobut-2-en-1-amine (PubChem CID 146454014) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is (E)-4-[(2-butyl-1,3-benzoxazol-6-yl)oxy]-3-fluorobut-2-en-1-amine.

Molecular Properties

Compound Name(E)-4-[(2-butyl-1,3-benzoxazol-6-yl)oxy]-3-fluorobut-2-en-1-amine
PubChem CID146454014
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name(E)-4-[(2-butyl-1,3-benzoxazol-6-yl)oxy]-3-fluorobut-2-en-1-amine
SMILESCCCCc1nc2ccc(OC/C(F)=C\CN)cc2o1
InChIInChI=1S/C15H19FN2O2/c1-2-3-4-15-18-13-6-5-12(9-14(13)20-15)19-10-11(16)7-8-17/h5-7,9H,2-4,8,10,17H2,1H3/b11-7+
InChIKeyCPXDXJRSCYKMGN-YRNVUSSQSA-N
XLogP3.36
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (E)-4-[(2-butyl-1,3-benzoxazol-6-yl)oxy]-3-fluorobut-2-en-1-amine?
The IUPAC name of (E)-4-[(2-butyl-1,3-benzoxazol-6-yl)oxy]-3-fluorobut-2-en-1-amine (CID 146454014) is (E)-4-[(2-butyl-1,3-benzoxazol-6-yl)oxy]-3-fluorobut-2-en-1-amine.
What is the SMILES notation for (E)-4-[(2-butyl-1,3-benzoxazol-6-yl)oxy]-3-fluorobut-2-en-1-amine?
The canonical SMILES for (E)-4-[(2-butyl-1,3-benzoxazol-6-yl)oxy]-3-fluorobut-2-en-1-amine is CCCCc1nc2ccc(OC/C(F)=C\CN)cc2o1.
What is the InChIKey of (E)-4-[(2-butyl-1,3-benzoxazol-6-yl)oxy]-3-fluorobut-2-en-1-amine?
The InChIKey is CPXDXJRSCYKMGN-YRNVUSSQSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-2-3-4-15-18-13-6-5-12(9-14(13)20-15)19-10-11(16)7-8-17/h5-7,9H,2-4,8,10,17H2,1H3/b11-7+.
What are the key properties of (E)-4-[(2-butyl-1,3-benzoxazol-6-yl)oxy]-3-fluorobut-2-en-1-amine?
(E)-4-[(2-butyl-1,3-benzoxazol-6-yl)oxy]-3-fluorobut-2-en-1-amine has a molecular weight of 278.33 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[(2-butyl-1,3-benzoxazol-6-yl)oxy]-3-fluorobut-2-en-1-amine is sourced from PubChem (CID 146454014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).