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

C14H16ClN3O — CID 2513524

IUPACN-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentanamine
SMILESClc1ccc(-c2nnc(CNC3CCCC3)o2)cc1
InChIInChI=1S/C14H16ClN3O/c15-11-7-5-10(6-8-11)14-18-17-13(19-14)9-16-12-3-1-2-4-12/h5-8,12,16H,1-4,9H2
InChIKeyQPQPNJVRKYVKPW-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.42
Rot. Bonds4

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

N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentanamine (PubChem CID 2513524) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentanamine
PubChem CID2513524
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC NameN-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentanamine
SMILESClc1ccc(-c2nnc(CNC3CCCC3)o2)cc1
InChIInChI=1S/C14H16ClN3O/c15-11-7-5-10(6-8-11)14-18-17-13(19-14)9-16-12-3-1-2-4-12/h5-8,12,16H,1-4,9H2
InChIKeyQPQPNJVRKYVKPW-UHFFFAOYSA-N
XLogP3.42
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentanamine?
The IUPAC name of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentanamine (CID 2513524) is N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentanamine.
What is the SMILES notation for N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentanamine?
The canonical SMILES for N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentanamine is Clc1ccc(-c2nnc(CNC3CCCC3)o2)cc1.
What is the InChIKey of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentanamine?
The InChIKey is QPQPNJVRKYVKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c15-11-7-5-10(6-8-11)14-18-17-13(19-14)9-16-12-3-1-2-4-12/h5-8,12,16H,1-4,9H2.
What are the key properties of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentanamine?
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentanamine has a molecular weight of 277.75 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentanamine is sourced from PubChem (CID 2513524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).