5-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-N-cyclopropyl-1,3,4-oxadiazol-2-amine

C15H17FN4O2 — CID 146511999

IUPAC5-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-N-cyclopropyl-1,3,4-oxadiazol-2-amine
SMILESNC/C(=C\F)COc1ccc(-c2nnc(NC3CC3)o2)cc1
InChIInChI=1S/C15H17FN4O2/c16-7-10(8-17)9-21-13-5-1-11(2-6-13)14-19-20-15(22-14)18-12-3-4-12/h1-2,5-7,12H,3-4,8-9,17H2,(H,18,20)/b10-7+
InChIKeyJVGYBLXWRDPTOW-JXMROGBWSA-N
MW304.33 g/mol
LogP2.50
Rot. Bonds7

About 5-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-N-cyclopropyl-1,3,4-oxadiazol-2-amine

5-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-N-cyclopropyl-1,3,4-oxadiazol-2-amine (PubChem CID 146511999) has the molecular formula C15H17FN4O2 and a molecular weight of 304.33 g/mol. Its IUPAC name is 5-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-N-cyclopropyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-N-cyclopropyl-1,3,4-oxadiazol-2-amine
PubChem CID146511999
Molecular FormulaC15H17FN4O2
Molecular Weight304.33 g/mol
Exact Mass304.13
IUPAC Name5-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-N-cyclopropyl-1,3,4-oxadiazol-2-amine
SMILESNC/C(=C\F)COc1ccc(-c2nnc(NC3CC3)o2)cc1
InChIInChI=1S/C15H17FN4O2/c16-7-10(8-17)9-21-13-5-1-11(2-6-13)14-19-20-15(22-14)18-12-3-4-12/h1-2,5-7,12H,3-4,8-9,17H2,(H,18,20)/b10-7+
InChIKeyJVGYBLXWRDPTOW-JXMROGBWSA-N
XLogP2.50
TPSA86.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-N-cyclopropyl-1,3,4-oxadiazol-2-amine with MolForge

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Related Compounds

(E)-3-fluoro-2-[[4-(1,3-oxazol-2-yl)phenoxy]methyl]prop-2-en-1-amine
CID 150452876
3-fluoro-2-[(4-pyrimidin-2-ylphenoxy)methyl]prop-2-en-1-amine
CID 142460811
(Z)-3-fluoro-2-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]methyl]prop-2-en-1-amine
CID 162369020
(E)-2-[[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine;hydrochloride
CID 162314553
(E)-3-fluoro-2-[(4-pyrimidin-2-ylphenoxy)methyl]prop-2-en-1-amine;hydrochloride
CID 162309300
3-fluoro-2-(phenoxymethyl)prop-2-en-1-amine
CID 54223245
(Z)-3-fluoro-2-[[4-[1-methyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]phenoxy]methyl]prop-2-en-1-amine
CID 162369065
(E)-2-[[4-(1,2-benzoxazol-3-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 146512176
5-(4-methoxyphenyl)-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine
CID 138057806
(E)-2-[(2-cyclopentyl-1,3-benzoxazol-6-yl)oxymethyl]-3-fluoroprop-2-en-1-amine
CID 162496698
(E)-3-fluoro-2-[[4-(methylaminosulfanyl)phenoxy]methyl]prop-2-en-1-amine
CID 134377206
(Z)-2-[[4-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 162369058

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-N-cyclopropyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-N-cyclopropyl-1,3,4-oxadiazol-2-amine (CID 146511999) is 5-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-N-cyclopropyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-N-cyclopropyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-N-cyclopropyl-1,3,4-oxadiazol-2-amine is NC/C(=C\F)COc1ccc(-c2nnc(NC3CC3)o2)cc1.
What is the InChIKey of 5-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-N-cyclopropyl-1,3,4-oxadiazol-2-amine?
The InChIKey is JVGYBLXWRDPTOW-JXMROGBWSA-N. The full InChI is InChI=1S/C15H17FN4O2/c16-7-10(8-17)9-21-13-5-1-11(2-6-13)14-19-20-15(22-14)18-12-3-4-12/h1-2,5-7,12H,3-4,8-9,17H2,(H,18,20)/b10-7+.
What are the key properties of 5-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-N-cyclopropyl-1,3,4-oxadiazol-2-amine?
5-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-N-cyclopropyl-1,3,4-oxadiazol-2-amine has a molecular weight of 304.33 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-N-cyclopropyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 146511999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).