2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine

C15H18FN3O — CID 82763018

IUPAC2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
SMILESCc1ccc(-c2noc(C3(C)CCCC3N)n2)cc1F
InChIInChI=1S/C15H18FN3O/c1-9-5-6-10(8-11(9)16)13-18-14(20-19-13)15(2)7-3-4-12(15)17/h5-6,8,12H,3-4,7,17H2,1-2H3
InChIKeyBTKVUQTUPPFYEN-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.95
Rot. Bonds2

About 2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine

2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine (PubChem CID 82763018) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
PubChem CID82763018
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
SMILESCc1ccc(-c2noc(C3(C)CCCC3N)n2)cc1F
InChIInChI=1S/C15H18FN3O/c1-9-5-6-10(8-11(9)16)13-18-14(20-19-13)15(2)7-3-4-12(15)17/h5-6,8,12H,3-4,7,17H2,1-2H3
InChIKeyBTKVUQTUPPFYEN-UHFFFAOYSA-N
XLogP2.95
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine?
The IUPAC name of 2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine (CID 82763018) is 2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine.
What is the SMILES notation for 2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine?
The canonical SMILES for 2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine is Cc1ccc(-c2noc(C3(C)CCCC3N)n2)cc1F.
What is the InChIKey of 2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine?
The InChIKey is BTKVUQTUPPFYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-9-5-6-10(8-11(9)16)13-18-14(20-19-13)15(2)7-3-4-12(15)17/h5-6,8,12H,3-4,7,17H2,1-2H3.
What are the key properties of 2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine?
2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine has a molecular weight of 275.33 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine is sourced from PubChem (CID 82763018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).