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

C14H16N4O3 — CID 3870153

IUPACN-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentanamine
SMILESO=[N+]([O-])c1ccc(-c2nnc(CNC3CCCC3)o2)cc1
InChIInChI=1S/C14H16N4O3/c19-18(20)12-7-5-10(6-8-12)14-17-16-13(21-14)9-15-11-3-1-2-4-11/h5-8,11,15H,1-4,9H2
InChIKeyDXQGHPMOABEZDJ-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.68
Rot. Bonds5

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

N-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentanamine (PubChem CID 3870153) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is N-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentanamine
PubChem CID3870153
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC NameN-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentanamine
SMILESO=[N+]([O-])c1ccc(-c2nnc(CNC3CCCC3)o2)cc1
InChIInChI=1S/C14H16N4O3/c19-18(20)12-7-5-10(6-8-12)14-17-16-13(21-14)9-15-11-3-1-2-4-11/h5-8,11,15H,1-4,9H2
InChIKeyDXQGHPMOABEZDJ-UHFFFAOYSA-N
XLogP2.68
TPSA94.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentanamine?
The IUPAC name of N-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentanamine (CID 3870153) is N-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentanamine.
What is the SMILES notation for N-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentanamine?
The canonical SMILES for N-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentanamine is O=[N+]([O-])c1ccc(-c2nnc(CNC3CCCC3)o2)cc1.
What is the InChIKey of N-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentanamine?
The InChIKey is DXQGHPMOABEZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c19-18(20)12-7-5-10(6-8-12)14-17-16-13(21-14)9-15-11-3-1-2-4-11/h5-8,11,15H,1-4,9H2.
What are the key properties of N-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentanamine?
N-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentanamine has a molecular weight of 288.31 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentanamine is sourced from PubChem (CID 3870153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).