[3-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methanamine

C10H10FN3O2 — CID 107686259

IUPAC[3-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methanamine
SMILESNCc1ccc(OCc2ncon2)c(F)c1
InChIInChI=1S/C10H10FN3O2/c11-8-3-7(4-12)1-2-9(8)15-5-10-13-6-16-14-10/h1-3,6H,4-5,12H2
InChIKeyGDBCKCBJMIEUIE-UHFFFAOYSA-N
MW223.21 g/mol
LogP1.25
Rot. Bonds4

About [3-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methanamine

[3-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methanamine (PubChem CID 107686259) has the molecular formula C10H10FN3O2 and a molecular weight of 223.21 g/mol. Its IUPAC name is [3-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methanamine
PubChem CID107686259
Molecular FormulaC10H10FN3O2
Molecular Weight223.21 g/mol
Exact Mass223.08
IUPAC Name[3-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methanamine
SMILESNCc1ccc(OCc2ncon2)c(F)c1
InChIInChI=1S/C10H10FN3O2/c11-8-3-7(4-12)1-2-9(8)15-5-10-13-6-16-14-10/h1-3,6H,4-5,12H2
InChIKeyGDBCKCBJMIEUIE-UHFFFAOYSA-N
XLogP1.25
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzonitrile
CID 107670454
[4-[(3,4-dichlorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 107686337
2-[5-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine
CID 55201494
[3-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methanamine
CID 28966349
[4-[(5-ethylthiophen-2-yl)methoxy]-3-fluorophenyl]methanamine
CID 107686357
4-[[4-(aminomethyl)-2-fluorophenoxy]methyl]benzonitrile
CID 107686277
2-[2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine
CID 60905651
[3-fluoro-4-(2-methylsulfanylethoxy)phenyl]methanamine
CID 107686331
[4-[(2-bromophenyl)methoxy]-3-fluorophenyl]methanamine
CID 82828276
[3-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 107686349
2-[4-(aminomethyl)-2-fluorophenoxy]acetonitrile
CID 107686306
3-[4-(aminomethyl)-2-fluorophenoxy]propan-1-ol
CID 43152166

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methanamine?
The IUPAC name of [3-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methanamine (CID 107686259) is [3-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methanamine.
What is the SMILES notation for [3-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methanamine?
The canonical SMILES for [3-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methanamine is NCc1ccc(OCc2ncon2)c(F)c1.
What is the InChIKey of [3-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methanamine?
The InChIKey is GDBCKCBJMIEUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O2/c11-8-3-7(4-12)1-2-9(8)15-5-10-13-6-16-14-10/h1-3,6H,4-5,12H2.
What are the key properties of [3-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methanamine?
[3-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methanamine has a molecular weight of 223.21 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methanamine is sourced from PubChem (CID 107686259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).