(5-ethyl-1,2,4-oxadiazol-3-yl)-(3-fluoro-4-methylphenyl)methanamine

C12H14FN3O — CID 63647944

IUPAC(5-ethyl-1,2,4-oxadiazol-3-yl)-(3-fluoro-4-methylphenyl)methanamine
SMILESCCc1nc(C(N)c2ccc(C)c(F)c2)no1
InChIInChI=1S/C12H14FN3O/c1-3-10-15-12(16-17-10)11(14)8-5-4-7(2)9(13)6-8/h4-6,11H,3,14H2,1-2H3
InChIKeyZWBXXVYRSASJAI-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.13
Rot. Bonds3

About (5-ethyl-1,2,4-oxadiazol-3-yl)-(3-fluoro-4-methylphenyl)methanamine

(5-ethyl-1,2,4-oxadiazol-3-yl)-(3-fluoro-4-methylphenyl)methanamine (PubChem CID 63647944) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is (5-ethyl-1,2,4-oxadiazol-3-yl)-(3-fluoro-4-methylphenyl)methanamine.

Molecular Properties

Compound Name(5-ethyl-1,2,4-oxadiazol-3-yl)-(3-fluoro-4-methylphenyl)methanamine
PubChem CID63647944
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name(5-ethyl-1,2,4-oxadiazol-3-yl)-(3-fluoro-4-methylphenyl)methanamine
SMILESCCc1nc(C(N)c2ccc(C)c(F)c2)no1
InChIInChI=1S/C12H14FN3O/c1-3-10-15-12(16-17-10)11(14)8-5-4-7(2)9(13)6-8/h4-6,11H,3,14H2,1-2H3
InChIKeyZWBXXVYRSASJAI-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-ethyl-1,2,4-oxadiazol-3-yl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 65101203
(3-bromo-4-fluorophenyl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine
CID 43559376
(3,4-dimethylphenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine
CID 43753558
(5-ethyl-1,2,4-oxadiazol-3-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanamine
CID 43559370
(4-bromo-3-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
CID 81437623
(3-fluoro-4-methylphenyl)-(5-methylpyrimidin-2-yl)methanamine
CID 107129090
(3-fluoro-4-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 43109404
(3,5-difluorophenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine
CID 106531793
(4-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
CID 43559285
(4-bromothiophen-2-yl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine
CID 61346436
(4-chloro-3-fluorophenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 107996089
(2,5-dimethoxyphenyl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine
CID 43559426

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-1,2,4-oxadiazol-3-yl)-(3-fluoro-4-methylphenyl)methanamine?
The IUPAC name of (5-ethyl-1,2,4-oxadiazol-3-yl)-(3-fluoro-4-methylphenyl)methanamine (CID 63647944) is (5-ethyl-1,2,4-oxadiazol-3-yl)-(3-fluoro-4-methylphenyl)methanamine.
What is the SMILES notation for (5-ethyl-1,2,4-oxadiazol-3-yl)-(3-fluoro-4-methylphenyl)methanamine?
The canonical SMILES for (5-ethyl-1,2,4-oxadiazol-3-yl)-(3-fluoro-4-methylphenyl)methanamine is CCc1nc(C(N)c2ccc(C)c(F)c2)no1.
What is the InChIKey of (5-ethyl-1,2,4-oxadiazol-3-yl)-(3-fluoro-4-methylphenyl)methanamine?
The InChIKey is ZWBXXVYRSASJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-3-10-15-12(16-17-10)11(14)8-5-4-7(2)9(13)6-8/h4-6,11H,3,14H2,1-2H3.
What are the key properties of (5-ethyl-1,2,4-oxadiazol-3-yl)-(3-fluoro-4-methylphenyl)methanamine?
(5-ethyl-1,2,4-oxadiazol-3-yl)-(3-fluoro-4-methylphenyl)methanamine has a molecular weight of 235.26 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-1,2,4-oxadiazol-3-yl)-(3-fluoro-4-methylphenyl)methanamine is sourced from PubChem (CID 63647944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).