(Z)-2-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine

C15H16FN3O2 — CID 162369019

IUPAC(Z)-2-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
SMILESNC/C(=C/F)COc1ccc(-c2nc(C3CC3)no2)cc1
InChIInChI=1S/C15H16FN3O2/c16-7-10(8-17)9-20-13-5-3-12(4-6-13)15-18-14(19-21-15)11-1-2-11/h3-7,11H,1-2,8-9,17H2/b10-7-
InChIKeyPKFBJOUWIMQMSD-YFHOEESVSA-N
MW289.31 g/mol
LogP2.80
Rot. Bonds6

About (Z)-2-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine

(Z)-2-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine (PubChem CID 162369019) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is (Z)-2-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-2-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
PubChem CID162369019
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name(Z)-2-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine
SMILESNC/C(=C/F)COc1ccc(-c2nc(C3CC3)no2)cc1
InChIInChI=1S/C15H16FN3O2/c16-7-10(8-17)9-20-13-5-3-12(4-6-13)15-18-14(19-21-15)11-1-2-11/h3-7,11H,1-2,8-9,17H2/b10-7-
InChIKeyPKFBJOUWIMQMSD-YFHOEESVSA-N
XLogP2.80
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[(4-{5-[4-(Propan-2-yloxy)phenyl]-1,2,4-oxadiazol-3-yl}phenyl)methyl]azetidine-3-carboxylic acid
CID 10249979
1-({4-[5-(4-Ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl}methyl)azetidine-3-carboxylic acid
CID 11501764
5-(2,3-Dihydrobenzofuran-5-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 2810520
3-(4-Iodophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 44560736
3-[3,5-Bis(trifluoromethyl)phenyl]-5-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole
CID 2810519
5-(4-Methoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 5152913
3-Benzyl-5-(4-methoxy-2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole
CID 89626569
5-(4-Methoxyphenyl)-3-phenyl-1,2,4-oxadiazole
CID 583994
5-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-1,2,4-oxadiazol-3-amine
CID 146511995
(E)-3-fluoro-2-[[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]methyl]prop-2-en-1-amine
CID 146512024
(E)-3-fluoro-2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]methyl]prop-2-en-1-amine
CID 146512028
(E)-3-fluoro-2-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]prop-2-en-1-amine
CID 146512034

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine?
The IUPAC name of (Z)-2-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine (CID 162369019) is (Z)-2-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine.
What is the SMILES notation for (Z)-2-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine?
The canonical SMILES for (Z)-2-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine is NC/C(=C/F)COc1ccc(-c2nc(C3CC3)no2)cc1.
What is the InChIKey of (Z)-2-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine?
The InChIKey is PKFBJOUWIMQMSD-YFHOEESVSA-N. The full InChI is InChI=1S/C15H16FN3O2/c16-7-10(8-17)9-20-13-5-3-12(4-6-13)15-18-14(19-21-15)11-1-2-11/h3-7,11H,1-2,8-9,17H2/b10-7-.
What are the key properties of (Z)-2-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine?
(Z)-2-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine has a molecular weight of 289.31 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine is sourced from PubChem (CID 162369019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).