N'-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]cyclopentanecarboximidamide

C15H16Cl2N4O2 — CID 95042062

IUPACN'-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]cyclopentanecarboximidamide
SMILESN/C(=N\OCc1nnc(-c2ccc(Cl)cc2Cl)o1)C1CCCC1
InChIInChI=1S/C15H16Cl2N4O2/c16-10-5-6-11(12(17)7-10)15-20-19-13(23-15)8-22-21-14(18)9-3-1-2-4-9/h5-7,9H,1-4,8H2,(H2,18,21)
InChIKeyBTSZEPGCRCKGFC-UHFFFAOYSA-N
MW355.23 g/mol
LogP4.02
Rot. Bonds5

About N'-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]cyclopentanecarboximidamide

N'-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]cyclopentanecarboximidamide (PubChem CID 95042062) has the molecular formula C15H16Cl2N4O2 and a molecular weight of 355.23 g/mol. Its IUPAC name is N'-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]cyclopentanecarboximidamide.

Molecular Properties

Compound NameN'-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]cyclopentanecarboximidamide
PubChem CID95042062
Molecular FormulaC15H16Cl2N4O2
Molecular Weight355.23 g/mol
Exact Mass354.07
IUPAC NameN'-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]cyclopentanecarboximidamide
SMILESN/C(=N\OCc1nnc(-c2ccc(Cl)cc2Cl)o1)C1CCCC1
InChIInChI=1S/C15H16Cl2N4O2/c16-10-5-6-11(12(17)7-10)15-20-19-13(23-15)8-22-21-14(18)9-3-1-2-4-9/h5-7,9H,1-4,8H2,(H2,18,21)
InChIKeyBTSZEPGCRCKGFC-UHFFFAOYSA-N
XLogP4.02
TPSA86.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]cyclopentanecarboximidamide?
The IUPAC name of N'-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]cyclopentanecarboximidamide (CID 95042062) is N'-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]cyclopentanecarboximidamide.
What is the SMILES notation for N'-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]cyclopentanecarboximidamide?
The canonical SMILES for N'-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]cyclopentanecarboximidamide is N/C(=N\OCc1nnc(-c2ccc(Cl)cc2Cl)o1)C1CCCC1.
What is the InChIKey of N'-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]cyclopentanecarboximidamide?
The InChIKey is BTSZEPGCRCKGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4O2/c16-10-5-6-11(12(17)7-10)15-20-19-13(23-15)8-22-21-14(18)9-3-1-2-4-9/h5-7,9H,1-4,8H2,(H2,18,21).
What are the key properties of N'-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]cyclopentanecarboximidamide?
N'-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]cyclopentanecarboximidamide has a molecular weight of 355.23 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]cyclopentanecarboximidamide is sourced from PubChem (CID 95042062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).