3-[5-(4-cyclopentyl-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine

C19H19FN4O — CID 11186785

IUPAC3-[5-(4-cyclopentyl-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine
SMILESCNc1ncccc1-c1noc(-c2ccc(C3CCCC3)c(F)c2)n1
InChIInChI=1S/C19H19FN4O/c1-21-17-15(7-4-10-22-17)18-23-19(25-24-18)13-8-9-14(16(20)11-13)12-5-2-3-6-12/h4,7-12H,2-3,5-6H2,1H3,(H,21,22)
InChIKeyCDEZLNNGUHUUNV-UHFFFAOYSA-N
MW338.39 g/mol
LogP4.64
Rot. Bonds4

About 3-[5-(4-cyclopentyl-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine

3-[5-(4-cyclopentyl-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine (PubChem CID 11186785) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is 3-[5-(4-cyclopentyl-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[5-(4-cyclopentyl-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine
PubChem CID11186785
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name3-[5-(4-cyclopentyl-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine
SMILESCNc1ncccc1-c1noc(-c2ccc(C3CCCC3)c(F)c2)n1
InChIInChI=1S/C19H19FN4O/c1-21-17-15(7-4-10-22-17)18-23-19(25-24-18)13-8-9-14(16(20)11-13)12-5-2-3-6-12/h4,7-12H,2-3,5-6H2,1H3,(H,21,22)
InChIKeyCDEZLNNGUHUUNV-UHFFFAOYSA-N
XLogP4.64
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-cyclopentyl-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine?
The IUPAC name of 3-[5-(4-cyclopentyl-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine (CID 11186785) is 3-[5-(4-cyclopentyl-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine.
What is the SMILES notation for 3-[5-(4-cyclopentyl-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine?
The canonical SMILES for 3-[5-(4-cyclopentyl-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine is CNc1ncccc1-c1noc(-c2ccc(C3CCCC3)c(F)c2)n1.
What is the InChIKey of 3-[5-(4-cyclopentyl-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine?
The InChIKey is CDEZLNNGUHUUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c1-21-17-15(7-4-10-22-17)18-23-19(25-24-18)13-8-9-14(16(20)11-13)12-5-2-3-6-12/h4,7-12H,2-3,5-6H2,1H3,(H,21,22).
What are the key properties of 3-[5-(4-cyclopentyl-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine?
3-[5-(4-cyclopentyl-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine has a molecular weight of 338.39 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-cyclopentyl-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine is sourced from PubChem (CID 11186785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).