(3-fluorophenyl)-(1,2,4-oxadiazol-3-yl)methanamine

C9H8FN3O — CID 43559137

IUPAC(3-fluorophenyl)-(1,2,4-oxadiazol-3-yl)methanamine
SMILESNC(c1cccc(F)c1)c1ncon1
InChIInChI=1S/C9H8FN3O/c10-7-3-1-2-6(4-7)8(11)9-12-5-14-13-9/h1-5,8H,11H2
InChIKeyDWMGGOAYFNKDAF-UHFFFAOYSA-N
MW193.18 g/mol
LogP1.26
Rot. Bonds2

About (3-fluorophenyl)-(1,2,4-oxadiazol-3-yl)methanamine

(3-fluorophenyl)-(1,2,4-oxadiazol-3-yl)methanamine (PubChem CID 43559137) has the molecular formula C9H8FN3O and a molecular weight of 193.18 g/mol. Its IUPAC name is (3-fluorophenyl)-(1,2,4-oxadiazol-3-yl)methanamine.

Molecular Properties

Compound Name(3-fluorophenyl)-(1,2,4-oxadiazol-3-yl)methanamine
PubChem CID43559137
Molecular FormulaC9H8FN3O
Molecular Weight193.18 g/mol
Exact Mass193.07
IUPAC Name(3-fluorophenyl)-(1,2,4-oxadiazol-3-yl)methanamine
SMILESNC(c1cccc(F)c1)c1ncon1
InChIInChI=1S/C9H8FN3O/c10-7-3-1-2-6(4-7)8(11)9-12-5-14-13-9/h1-5,8H,11H2
InChIKeyDWMGGOAYFNKDAF-UHFFFAOYSA-N
XLogP1.26
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Phenyl-1,2,4-oxadiazole
CID 12260139
Mbysligcuylpaw-uhfffaoysa-
CID 14978594
3-(4-Fluorophenyl)-1,2,4-oxadiazole
CID 19046149
3-(3-Fluoro-4-methylphenyl)-1,2,4-oxadiazole
CID 54772357
3-[(Dimethylsulfamoylamino)-(2-fluorophenyl)methyl]-5-methyl-1,2,4-oxadiazole
CID 72013278
1-(2-Fluorophenyl)-1-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine hydrochloride
CID 54593388
(4-Chlorophenyl)(1,2,4-oxadiazol-3-yl)methanamine hydrochloride
CID 71757534
(3,4-Difluorophenyl)(1,2,4-oxadiazol-3-yl)methanamine hydrochloride
CID 71757734
1-(5-Methyl-1,2,4-oxadiazol-3-yl)-1-phenylmethanamine hydrochloride
CID 137950975
3-Benzyl-1,2,4-oxadiazole
CID 20068908
(4-Chlorophenyl)(1,2,4-oxadiazol-3-yl)methanamine
CID 43559095
N-[(R)-(4-chlorophenyl)-(1,2,4-oxadiazol-3-yl)methyl]cyclohexanamine
CID 97336697

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-(1,2,4-oxadiazol-3-yl)methanamine?
The IUPAC name of (3-fluorophenyl)-(1,2,4-oxadiazol-3-yl)methanamine (CID 43559137) is (3-fluorophenyl)-(1,2,4-oxadiazol-3-yl)methanamine.
What is the SMILES notation for (3-fluorophenyl)-(1,2,4-oxadiazol-3-yl)methanamine?
The canonical SMILES for (3-fluorophenyl)-(1,2,4-oxadiazol-3-yl)methanamine is NC(c1cccc(F)c1)c1ncon1.
What is the InChIKey of (3-fluorophenyl)-(1,2,4-oxadiazol-3-yl)methanamine?
The InChIKey is DWMGGOAYFNKDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O/c10-7-3-1-2-6(4-7)8(11)9-12-5-14-13-9/h1-5,8H,11H2.
What are the key properties of (3-fluorophenyl)-(1,2,4-oxadiazol-3-yl)methanamine?
(3-fluorophenyl)-(1,2,4-oxadiazol-3-yl)methanamine has a molecular weight of 193.18 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-(1,2,4-oxadiazol-3-yl)methanamine is sourced from PubChem (CID 43559137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).