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

C21H23FN4O — CID 45106944

IUPACN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-phenyl-1,2,4-oxadiazol-5-amine
SMILESFc1ccccc1CN1CCC(CNc2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C21H23FN4O/c22-19-9-5-4-8-18(19)15-26-12-10-16(11-13-26)14-23-21-24-20(25-27-21)17-6-2-1-3-7-17/h1-9,16H,10-15H2,(H,23,24,25)
InChIKeyFDJUZBVPRKJUOC-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.20
Rot. Bonds6

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

N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-phenyl-1,2,4-oxadiazol-5-amine (PubChem CID 45106944) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-phenyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-phenyl-1,2,4-oxadiazol-5-amine
PubChem CID45106944
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC NameN-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-phenyl-1,2,4-oxadiazol-5-amine
SMILESFc1ccccc1CN1CCC(CNc2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C21H23FN4O/c22-19-9-5-4-8-18(19)15-26-12-10-16(11-13-26)14-23-21-24-20(25-27-21)17-6-2-1-3-7-17/h1-9,16H,10-15H2,(H,23,24,25)
InChIKeyFDJUZBVPRKJUOC-UHFFFAOYSA-N
XLogP4.20
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-phenyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-phenyl-1,2,4-oxadiazol-5-amine (CID 45106944) is N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-phenyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-phenyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-phenyl-1,2,4-oxadiazol-5-amine is Fc1ccccc1CN1CCC(CNc2nc(-c3ccccc3)no2)CC1.
What is the InChIKey of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-phenyl-1,2,4-oxadiazol-5-amine?
The InChIKey is FDJUZBVPRKJUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c22-19-9-5-4-8-18(19)15-26-12-10-16(11-13-26)14-23-21-24-20(25-27-21)17-6-2-1-3-7-17/h1-9,16H,10-15H2,(H,23,24,25).
What are the key properties of N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-phenyl-1,2,4-oxadiazol-5-amine?
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-phenyl-1,2,4-oxadiazol-5-amine has a molecular weight of 366.44 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-phenyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 45106944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).