5-cyclopropyl-N-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1,3,4-oxadiazol-2-amine

C17H21FN4O — CID 72876035

IUPAC5-cyclopropyl-N-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1,3,4-oxadiazol-2-amine
SMILESFc1ccc(CN2CCCC(Nc3nnc(C4CC4)o3)C2)cc1
InChIInChI=1S/C17H21FN4O/c18-14-7-3-12(4-8-14)10-22-9-1-2-15(11-22)19-17-21-20-16(23-17)13-5-6-13/h3-4,7-8,13,15H,1-2,5-6,9-11H2,(H,19,21)
InChIKeyOTNMBRHTEVYQKU-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.16
Rot. Bonds5

About 5-cyclopropyl-N-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1,3,4-oxadiazol-2-amine

5-cyclopropyl-N-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1,3,4-oxadiazol-2-amine (PubChem CID 72876035) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is 5-cyclopropyl-N-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1,3,4-oxadiazol-2-amine
PubChem CID72876035
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC Name5-cyclopropyl-N-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1,3,4-oxadiazol-2-amine
SMILESFc1ccc(CN2CCCC(Nc3nnc(C4CC4)o3)C2)cc1
InChIInChI=1S/C17H21FN4O/c18-14-7-3-12(4-8-14)10-22-9-1-2-15(11-22)19-17-21-20-16(23-17)13-5-6-13/h3-4,7-8,13,15H,1-2,5-6,9-11H2,(H,19,21)
InChIKeyOTNMBRHTEVYQKU-UHFFFAOYSA-N
XLogP3.16
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1,3,4-oxadiazol-2-amine (CID 72876035) is 5-cyclopropyl-N-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1,3,4-oxadiazol-2-amine is Fc1ccc(CN2CCCC(Nc3nnc(C4CC4)o3)C2)cc1.
What is the InChIKey of 5-cyclopropyl-N-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1,3,4-oxadiazol-2-amine?
The InChIKey is OTNMBRHTEVYQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O/c18-14-7-3-12(4-8-14)10-22-9-1-2-15(11-22)19-17-21-20-16(23-17)13-5-6-13/h3-4,7-8,13,15H,1-2,5-6,9-11H2,(H,19,21).
What are the key properties of 5-cyclopropyl-N-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1,3,4-oxadiazol-2-amine?
5-cyclopropyl-N-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1,3,4-oxadiazol-2-amine has a molecular weight of 316.38 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 72876035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).