(E)-2-[(2-butyl-1,3-benzoxazol-6-yl)oxymethyl]-3-fluoroprop-2-en-1-amine

C15H19FN2O2 — CID 162496709

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

About (E)-2-[(2-butyl-1,3-benzoxazol-6-yl)oxymethyl]-3-fluoroprop-2-en-1-amine

(E)-2-[(2-butyl-1,3-benzoxazol-6-yl)oxymethyl]-3-fluoroprop-2-en-1-amine (PubChem CID 162496709) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is (E)-2-[(2-butyl-1,3-benzoxazol-6-yl)oxymethyl]-3-fluoroprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-2-[(2-butyl-1,3-benzoxazol-6-yl)oxymethyl]-3-fluoroprop-2-en-1-amine
PubChem CID162496709
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name(E)-2-[(2-butyl-1,3-benzoxazol-6-yl)oxymethyl]-3-fluoroprop-2-en-1-amine
SMILESCCCCc1nc2ccc(OC/C(=C/F)CN)cc2o1
InChIInChI=1S/C15H19FN2O2/c1-2-3-4-15-18-13-6-5-12(7-14(13)20-15)19-10-11(8-16)9-17/h5-8H,2-4,9-10,17H2,1H3/b11-8+
InChIKeyWWOYOULBHXEUJD-DHZHZOJOSA-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

Analyze (E)-2-[(2-butyl-1,3-benzoxazol-6-yl)oxymethyl]-3-fluoroprop-2-en-1-amine with MolForge

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Launch Full Analysis

Related Compounds

L 696040
CID 131887
2(1H)-Pyridinone, 5-ethyl-3-(((4-fluoro-2-benzoxazolyl)methyl)amino)-6-methyl-
CID 454408
2(1H)-Pyridinone, 5-ethyl-3-(((7-fluoro-2-benzoxazolyl)methyl)amino)-6-methyl-
CID 454411
3-(1,3-benzoxazol-2-ylmethylamino)-5-ethyl-4,6-dimethyl-1H-pyridin-2-one
CID 454434
2-(3-Fluoro-4-hydroxy-phenyl)-benzooxazol-6-ol
CID 135528621
Sulfamic acid 2-adamantan-2-ylidenemethyl-benzooxazol-6-yl ester
CID 9820272
2-Methyl-1,3-benzoxazol-6-ol
CID 676504
6-Methoxy-2-methylbenzoxazole
CID 90329
2(1H)-Pyridinone, 5-ethyl-3-(((5-fluoro-2-benzoxazolyl)methyl)amino)-6-methyl-
CID 454409
5-ethyl-3-[(4-methoxy-1,3-benzoxazol-2-yl)methylamino]-6-methyl-1H-pyridin-2-one
CID 454414
5-ethyl-3-[(4-hydroxy-1,3-benzoxazol-2-yl)methylamino]-6-methyl-1H-pyridin-2-one
CID 454415
4-[(E)-2-[4-[6-(2-fluoroethoxy)-1,3-benzoxazol-2-yl]phenyl]ethenyl]aniline
CID 25211658

Frequently Asked Questions

What is the IUPAC name of (E)-2-[(2-butyl-1,3-benzoxazol-6-yl)oxymethyl]-3-fluoroprop-2-en-1-amine?
The IUPAC name of (E)-2-[(2-butyl-1,3-benzoxazol-6-yl)oxymethyl]-3-fluoroprop-2-en-1-amine (CID 162496709) is (E)-2-[(2-butyl-1,3-benzoxazol-6-yl)oxymethyl]-3-fluoroprop-2-en-1-amine.
What is the SMILES notation for (E)-2-[(2-butyl-1,3-benzoxazol-6-yl)oxymethyl]-3-fluoroprop-2-en-1-amine?
The canonical SMILES for (E)-2-[(2-butyl-1,3-benzoxazol-6-yl)oxymethyl]-3-fluoroprop-2-en-1-amine is CCCCc1nc2ccc(OC/C(=C/F)CN)cc2o1.
What is the InChIKey of (E)-2-[(2-butyl-1,3-benzoxazol-6-yl)oxymethyl]-3-fluoroprop-2-en-1-amine?
The InChIKey is WWOYOULBHXEUJD-DHZHZOJOSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-2-3-4-15-18-13-6-5-12(7-14(13)20-15)19-10-11(8-16)9-17/h5-8H,2-4,9-10,17H2,1H3/b11-8+.
What are the key properties of (E)-2-[(2-butyl-1,3-benzoxazol-6-yl)oxymethyl]-3-fluoroprop-2-en-1-amine?
(E)-2-[(2-butyl-1,3-benzoxazol-6-yl)oxymethyl]-3-fluoroprop-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)-2-[(2-butyl-1,3-benzoxazol-6-yl)oxymethyl]-3-fluoroprop-2-en-1-amine is sourced from PubChem (CID 162496709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).