N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclopentanamine

C20H20FN3O — CID 45106803

IUPACN-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclopentanamine
SMILESFc1ccc(C(NC2CCCC2)c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C20H20FN3O/c21-16-12-10-14(11-13-16)18(22-17-8-4-5-9-17)20-24-23-19(25-20)15-6-2-1-3-7-15/h1-3,6-7,10-13,17-18,22H,4-5,8-9H2
InChIKeyNUAVMMOWQHHUBZ-UHFFFAOYSA-N
MW337.40 g/mol
LogP4.50
Rot. Bonds5

About N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclopentanamine

N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclopentanamine (PubChem CID 45106803) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclopentanamine
PubChem CID45106803
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC NameN-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclopentanamine
SMILESFc1ccc(C(NC2CCCC2)c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C20H20FN3O/c21-16-12-10-14(11-13-16)18(22-17-8-4-5-9-17)20-24-23-19(25-20)15-6-2-1-3-7-15/h1-3,6-7,10-13,17-18,22H,4-5,8-9H2
InChIKeyNUAVMMOWQHHUBZ-UHFFFAOYSA-N
XLogP4.50
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclopentanamine?
The IUPAC name of N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclopentanamine (CID 45106803) is N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclopentanamine?
The canonical SMILES for N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclopentanamine is Fc1ccc(C(NC2CCCC2)c2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclopentanamine?
The InChIKey is NUAVMMOWQHHUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c21-16-12-10-14(11-13-16)18(22-17-8-4-5-9-17)20-24-23-19(25-20)15-6-2-1-3-7-15/h1-3,6-7,10-13,17-18,22H,4-5,8-9H2.
What are the key properties of N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclopentanamine?
N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclopentanamine has a molecular weight of 337.40 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]cyclopentanamine is sourced from PubChem (CID 45106803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).