(Z)-3-fluoro-2-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]methyl]prop-2-en-1-amine

C18H16FN3O2 — CID 162369020

IUPAC(Z)-3-fluoro-2-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]methyl]prop-2-en-1-amine
SMILESNC/C(=C/F)COc1ccc(-c2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C18H16FN3O2/c19-10-13(11-20)12-23-16-8-6-15(7-9-16)18-21-17(22-24-18)14-4-2-1-3-5-14/h1-10H,11-12,20H2/b13-10-
InChIKeyFGSSFWJLHYKGRD-RAXLEYEMSA-N
MW325.34 g/mol
LogP3.59
Rot. Bonds6

About (Z)-3-fluoro-2-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]methyl]prop-2-en-1-amine

(Z)-3-fluoro-2-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]methyl]prop-2-en-1-amine (PubChem CID 162369020) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is (Z)-3-fluoro-2-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-fluoro-2-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]methyl]prop-2-en-1-amine
PubChem CID162369020
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name(Z)-3-fluoro-2-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]methyl]prop-2-en-1-amine
SMILESNC/C(=C/F)COc1ccc(-c2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C18H16FN3O2/c19-10-13(11-20)12-23-16-8-6-15(7-9-16)18-21-17(22-24-18)14-4-2-1-3-5-14/h1-10H,11-12,20H2/b13-10-
InChIKeyFGSSFWJLHYKGRD-RAXLEYEMSA-N
XLogP3.59
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (Z)-3-fluoro-2-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]methyl]prop-2-en-1-amine with MolForge

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Related Compounds

(E)-2-[[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine;hydrochloride
CID 162314553
3-fluoro-2-[(4-pyrimidin-2-ylphenoxy)methyl]prop-2-en-1-amine
CID 142460811
(E)-3-fluoro-2-[(4-pyrimidin-2-ylphenoxy)methyl]prop-2-en-1-amine;hydrochloride
CID 162309300
(E)-2-[[4-(1,2-benzoxazol-3-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 146512176
(E)-3-fluoro-2-[[4-(1,3-oxazol-2-yl)phenoxy]methyl]prop-2-en-1-amine
CID 150452876
2-[4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328461
1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]propan-2-ol
CID 71294649
N-tert-butyl-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 46266757
2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328748
(Z)-2-[[4-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]phenoxy]methyl]-3-fluoroprop-2-en-1-amine
CID 162369058
(E)-2-[[4-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]phenoxy]methyl]-3-fluoroprop-2-en-1-amine;hydrochloride
CID 162324885
2-[4-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328496

Frequently Asked Questions

What is the IUPAC name of (Z)-3-fluoro-2-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]methyl]prop-2-en-1-amine?
The IUPAC name of (Z)-3-fluoro-2-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]methyl]prop-2-en-1-amine (CID 162369020) is (Z)-3-fluoro-2-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]methyl]prop-2-en-1-amine.
What is the SMILES notation for (Z)-3-fluoro-2-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]methyl]prop-2-en-1-amine?
The canonical SMILES for (Z)-3-fluoro-2-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]methyl]prop-2-en-1-amine is NC/C(=C/F)COc1ccc(-c2nc(-c3ccccc3)no2)cc1.
What is the InChIKey of (Z)-3-fluoro-2-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]methyl]prop-2-en-1-amine?
The InChIKey is FGSSFWJLHYKGRD-RAXLEYEMSA-N. The full InChI is InChI=1S/C18H16FN3O2/c19-10-13(11-20)12-23-16-8-6-15(7-9-16)18-21-17(22-24-18)14-4-2-1-3-5-14/h1-10H,11-12,20H2/b13-10-.
What are the key properties of (Z)-3-fluoro-2-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]methyl]prop-2-en-1-amine?
(Z)-3-fluoro-2-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]methyl]prop-2-en-1-amine has a molecular weight of 325.34 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-fluoro-2-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]methyl]prop-2-en-1-amine is sourced from PubChem (CID 162369020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).