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

C16H20F2N4O — CID 120752346

IUPACN-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(2,5-difluorophenyl)methyl]cyclopentanamine
SMILESNCc1nc(CN(Cc2cc(F)ccc2F)C2CCCC2)no1
InChIInChI=1S/C16H20F2N4O/c17-12-5-6-14(18)11(7-12)9-22(13-3-1-2-4-13)10-15-20-16(8-19)23-21-15/h5-7,13H,1-4,8-10,19H2
InChIKeyPZOVEBMEEMKYMT-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.75
Rot. Bonds6

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

N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(2,5-difluorophenyl)methyl]cyclopentanamine (PubChem CID 120752346) has the molecular formula C16H20F2N4O and a molecular weight of 322.36 g/mol. Its IUPAC name is N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(2,5-difluorophenyl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(2,5-difluorophenyl)methyl]cyclopentanamine
PubChem CID120752346
Molecular FormulaC16H20F2N4O
Molecular Weight322.36 g/mol
Exact Mass322.16
IUPAC NameN-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(2,5-difluorophenyl)methyl]cyclopentanamine
SMILESNCc1nc(CN(Cc2cc(F)ccc2F)C2CCCC2)no1
InChIInChI=1S/C16H20F2N4O/c17-12-5-6-14(18)11(7-12)9-22(13-3-1-2-4-13)10-15-20-16(8-19)23-21-15/h5-7,13H,1-4,8-10,19H2
InChIKeyPZOVEBMEEMKYMT-UHFFFAOYSA-N
XLogP2.75
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(2,5-difluorophenyl)methyl]cyclopentanamine?
The IUPAC name of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(2,5-difluorophenyl)methyl]cyclopentanamine (CID 120752346) is N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(2,5-difluorophenyl)methyl]cyclopentanamine.
What is the SMILES notation for N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(2,5-difluorophenyl)methyl]cyclopentanamine?
The canonical SMILES for N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(2,5-difluorophenyl)methyl]cyclopentanamine is NCc1nc(CN(Cc2cc(F)ccc2F)C2CCCC2)no1.
What is the InChIKey of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(2,5-difluorophenyl)methyl]cyclopentanamine?
The InChIKey is PZOVEBMEEMKYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N4O/c17-12-5-6-14(18)11(7-12)9-22(13-3-1-2-4-13)10-15-20-16(8-19)23-21-15/h5-7,13H,1-4,8-10,19H2.
What are the key properties of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(2,5-difluorophenyl)methyl]cyclopentanamine?
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(2,5-difluorophenyl)methyl]cyclopentanamine has a molecular weight of 322.36 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(2,5-difluorophenyl)methyl]cyclopentanamine is sourced from PubChem (CID 120752346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).