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

C16H19FN2O2 — CID 162496698

IUPAC(E)-2-[(2-cyclopentyl-1,3-benzoxazol-6-yl)oxymethyl]-3-fluoroprop-2-en-1-amine
SMILESNC/C(=C\F)COc1ccc2nc(C3CCCC3)oc2c1
InChIInChI=1S/C16H19FN2O2/c17-8-11(9-18)10-20-13-5-6-14-15(7-13)21-16(19-14)12-3-1-2-4-12/h5-8,12H,1-4,9-10,18H2/b11-8+
InChIKeyZWASSEGCFZDMTF-DHZHZOJOSA-N
MW290.34 g/mol
LogP3.68
Rot. Bonds5

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

(E)-2-[(2-cyclopentyl-1,3-benzoxazol-6-yl)oxymethyl]-3-fluoroprop-2-en-1-amine (PubChem CID 162496698) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is (E)-2-[(2-cyclopentyl-1,3-benzoxazol-6-yl)oxymethyl]-3-fluoroprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-2-[(2-cyclopentyl-1,3-benzoxazol-6-yl)oxymethyl]-3-fluoroprop-2-en-1-amine
PubChem CID162496698
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name(E)-2-[(2-cyclopentyl-1,3-benzoxazol-6-yl)oxymethyl]-3-fluoroprop-2-en-1-amine
SMILESNC/C(=C\F)COc1ccc2nc(C3CCCC3)oc2c1
InChIInChI=1S/C16H19FN2O2/c17-8-11(9-18)10-20-13-5-6-14-15(7-13)21-16(19-14)12-3-1-2-4-12/h5-8,12H,1-4,9-10,18H2/b11-8+
InChIKeyZWASSEGCFZDMTF-DHZHZOJOSA-N
XLogP3.68
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Launch Full Analysis

Related Compounds

[(E)-3-fluoro-2-[[2-(4-phenylcyclohexyl)-1,3-benzoxazol-6-yl]oxymethyl]prop-2-enyl]carbamic acid
CID 146454152
6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-benzyl-1,3-benzoxazol-2-amine
CID 146454125
2-cyclopentyl-6-methoxy-1,3-benzoxazole
CID 146453926
6-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-[(2,6-dimethyl-4-pyridinyl)methyl]-1,3-benzoxazol-2-amine
CID 175141774
6-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-(2-methoxyethyl)-1,3-benzoxazol-2-amine
CID 146453911
5-[[[6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-1,3-benzoxazol-2-yl]amino]methyl]-1-methylpyridin-2-one
CID 170909441
(E)-2-[[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine;hydrochloride
CID 162314553
2-cyclobutyl-1,3-benzoxazol-6-amine
CID 43117903
(E)-2-[(2-tert-butyl-1,3-benzoxazol-6-yl)oxymethyl]-3-fluoroprop-2-en-1-amine;4-methylbenzenesulfonic acid
CID 163803317
ethyl 2-[[6-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-1,3-benzoxazol-2-yl]amino]-4-methylbenzenesulfonate
CID 175139023
1-[6-[(2E)-2-(fluoromethylidene)butoxy]-1,3-benzoxazol-2-yl]pyrrolidin-3-ol
CID 163589244
3-[4-[[6-[2-(aminomethyl)-3-fluoroprop-2-enoxy]-1,3-benzoxazol-2-yl]amino]-1-hydroxycyclohexyl]-4-methylbenzenesulfonic acid
CID 175357662

Frequently Asked Questions

What is the IUPAC name of (E)-2-[(2-cyclopentyl-1,3-benzoxazol-6-yl)oxymethyl]-3-fluoroprop-2-en-1-amine?
The IUPAC name of (E)-2-[(2-cyclopentyl-1,3-benzoxazol-6-yl)oxymethyl]-3-fluoroprop-2-en-1-amine (CID 162496698) is (E)-2-[(2-cyclopentyl-1,3-benzoxazol-6-yl)oxymethyl]-3-fluoroprop-2-en-1-amine.
What is the SMILES notation for (E)-2-[(2-cyclopentyl-1,3-benzoxazol-6-yl)oxymethyl]-3-fluoroprop-2-en-1-amine?
The canonical SMILES for (E)-2-[(2-cyclopentyl-1,3-benzoxazol-6-yl)oxymethyl]-3-fluoroprop-2-en-1-amine is NC/C(=C\F)COc1ccc2nc(C3CCCC3)oc2c1.
What is the InChIKey of (E)-2-[(2-cyclopentyl-1,3-benzoxazol-6-yl)oxymethyl]-3-fluoroprop-2-en-1-amine?
The InChIKey is ZWASSEGCFZDMTF-DHZHZOJOSA-N. The full InChI is InChI=1S/C16H19FN2O2/c17-8-11(9-18)10-20-13-5-6-14-15(7-13)21-16(19-14)12-3-1-2-4-12/h5-8,12H,1-4,9-10,18H2/b11-8+.
What are the key properties of (E)-2-[(2-cyclopentyl-1,3-benzoxazol-6-yl)oxymethyl]-3-fluoroprop-2-en-1-amine?
(E)-2-[(2-cyclopentyl-1,3-benzoxazol-6-yl)oxymethyl]-3-fluoroprop-2-en-1-amine has a molecular weight of 290.34 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[(2-cyclopentyl-1,3-benzoxazol-6-yl)oxymethyl]-3-fluoroprop-2-en-1-amine is sourced from PubChem (CID 162496698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).