[3-[2-(2-fluoropropan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine

C12H14FN3O — CID 117342084

IUPAC[3-[2-(2-fluoropropan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCC(C)(F)c1ccccc1-c1noc(CN)n1
InChIInChI=1S/C12H14FN3O/c1-12(2,13)9-6-4-3-5-8(9)11-15-10(7-14)17-16-11/h3-6H,7,14H2,1-2H3
InChIKeyMZMRSJGGJSGRNO-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.40
Rot. Bonds3

About [3-[2-(2-fluoropropan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine

[3-[2-(2-fluoropropan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 117342084) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is [3-[2-(2-fluoropropan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-[2-(2-fluoropropan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID117342084
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name[3-[2-(2-fluoropropan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCC(C)(F)c1ccccc1-c1noc(CN)n1
InChIInChI=1S/C12H14FN3O/c1-12(2,13)9-6-4-3-5-8(9)11-15-10(7-14)17-16-11/h3-6H,7,14H2,1-2H3
InChIKeyMZMRSJGGJSGRNO-UHFFFAOYSA-N
XLogP2.40
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[5-(1,1-difluoroethyl)-2-fluorophenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117395718
1-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 115081520
[3-[3-bromo-4-(2-fluoropropan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117499167
(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride
CID 121237656
2-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 115080368
2-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]acetaldehyde
CID 115080597
2-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]acetic acid
CID 115081827
[3-(3-fluoro-2-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117430690
[3-(2-bromo-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117456713
[3-[2-(1-methylimidazol-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117390951
[3-[2-(4-methylpiperazin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117436157
1-[2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclopropan-1-ol
CID 115112692

Frequently Asked Questions

What is the IUPAC name of [3-[2-(2-fluoropropan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-[2-(2-fluoropropan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine (CID 117342084) is [3-[2-(2-fluoropropan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-[2-(2-fluoropropan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-[2-(2-fluoropropan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine is CC(C)(F)c1ccccc1-c1noc(CN)n1.
What is the InChIKey of [3-[2-(2-fluoropropan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is MZMRSJGGJSGRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-12(2,13)9-6-4-3-5-8(9)11-15-10(7-14)17-16-11/h3-6H,7,14H2,1-2H3.
What are the key properties of [3-[2-(2-fluoropropan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine?
[3-[2-(2-fluoropropan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 235.26 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(2-fluoropropan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 117342084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).