[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine

C10H10FN3O2 — CID 107922458

IUPAC[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCOc1cc(-c2noc(CN)n2)ccc1F
InChIInChI=1S/C10H10FN3O2/c1-15-8-4-6(2-3-7(8)11)10-13-9(5-12)16-14-10/h2-4H,5,12H2,1H3
InChIKeyKHMMCXIWFLPFFB-UHFFFAOYSA-N
MW223.21 g/mol
LogP1.34
Rot. Bonds3

About [3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine

[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 107922458) has the molecular formula C10H10FN3O2 and a molecular weight of 223.21 g/mol. Its IUPAC name is [3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID107922458
Molecular FormulaC10H10FN3O2
Molecular Weight223.21 g/mol
Exact Mass223.08
IUPAC Name[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCOc1cc(-c2noc(CN)n2)ccc1F
InChIInChI=1S/C10H10FN3O2/c1-15-8-4-6(2-3-7(8)11)10-13-9(5-12)16-14-10/h2-4H,5,12H2,1H3
InChIKeyKHMMCXIWFLPFFB-UHFFFAOYSA-N
XLogP1.34
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 107922483
5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2-methoxyaniline
CID 115112713
3-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 104880887
[3-(4-fluoro-3-methoxy-5-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117346150
[3-(2,5-difluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117354397
2-[[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetonitrile
CID 104676934
2-amino-1-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 114016203
N-[[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]butan-2-amine
CID 107922415
N-[2-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
CID 107922484
[3-[3,5-dimethoxy-4-(methoxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117447663
[3-(4-methoxy-3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 82358630
[3-[5-fluoro-4-methoxy-2-(methoxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117421223

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine (CID 107922458) is [3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine is COc1cc(-c2noc(CN)n2)ccc1F.
What is the InChIKey of [3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is KHMMCXIWFLPFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O2/c1-15-8-4-6(2-3-7(8)11)10-13-9(5-12)16-14-10/h2-4H,5,12H2,1H3.
What are the key properties of [3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 223.21 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 107922458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).