5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-amine

C9H8FN3O — CID 63048941

IUPAC5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-amine
SMILESCc1ccc(F)cc1-c1nnc(N)o1
InChIInChI=1S/C9H8FN3O/c1-5-2-3-6(10)4-7(5)8-12-13-9(11)14-8/h2-4H,1H3,(H2,11,13)
InChIKeyFYADMHIGMTXZII-UHFFFAOYSA-N
MW193.18 g/mol
LogP1.77
Rot. Bonds1

About 5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-amine

5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 63048941) has the molecular formula C9H8FN3O and a molecular weight of 193.18 g/mol. Its IUPAC name is 5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-amine
PubChem CID63048941
Molecular FormulaC9H8FN3O
Molecular Weight193.18 g/mol
Exact Mass193.07
IUPAC Name5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-amine
SMILESCc1ccc(F)cc1-c1nnc(N)o1
InChIInChI=1S/C9H8FN3O/c1-5-2-3-6(10)4-7(5)8-12-13-9(11)14-8/h2-4H,1H3,(H2,11,13)
InChIKeyFYADMHIGMTXZII-UHFFFAOYSA-N
XLogP1.77
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazole
CID 114771109
5-(5-fluoro-2-nitrophenyl)-1,3,4-oxadiazol-2-amine
CID 60875624
N-[3-(5-amino-1,3,4-oxadiazol-2-yl)-4-methylphenyl]methanesulfonamide
CID 21357771
1-[5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 63048632
5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-amine
CID 16768183
1-[5-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 63049853
5-chloro-2-(5-fluoro-2-methylphenyl)aniline
CID 81274733
5-(5-amino-1,3,4-oxadiazol-2-yl)-1,3,4-oxadiazol-2-amine
CID 4036354
5-(6-chloro-3-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-amine
CID 169269980
2-(5-fluoro-2-methylphenyl)-6-methylpyrimidin-4-amine
CID 55208923
5-(4-tert-butyl-2,6-dimethylphenyl)-1,3,4-oxadiazol-2-amine
CID 82479129
4-(5-fluoro-2-methylphenyl)-3,6-dimethylpyridazine
CID 164557692

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-amine (CID 63048941) is 5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-amine is Cc1ccc(F)cc1-c1nnc(N)o1.
What is the InChIKey of 5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is FYADMHIGMTXZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O/c1-5-2-3-6(10)4-7(5)8-12-13-9(11)14-8/h2-4H,1H3,(H2,11,13).
What are the key properties of 5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-amine?
5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 193.18 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 63048941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).