2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-propylcyclopentan-1-amine

C14H23F2N3O2 — CID 103151059

IUPAC2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1c1nc(CCOCC(F)F)no1
InChIInChI=1S/C14H23F2N3O2/c1-2-7-17-11-5-3-4-10(11)14-18-13(19-21-14)6-8-20-9-12(15)16/h10-12,17H,2-9H2,1H3
InChIKeyDLJTULAYRRIOCI-UHFFFAOYSA-N
MW303.35 g/mol
LogP2.53
Rot. Bonds9

About 2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-propylcyclopentan-1-amine

2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-propylcyclopentan-1-amine (PubChem CID 103151059) has the molecular formula C14H23F2N3O2 and a molecular weight of 303.35 g/mol. Its IUPAC name is 2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-propylcyclopentan-1-amine
PubChem CID103151059
Molecular FormulaC14H23F2N3O2
Molecular Weight303.35 g/mol
Exact Mass303.18
IUPAC Name2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1c1nc(CCOCC(F)F)no1
InChIInChI=1S/C14H23F2N3O2/c1-2-7-17-11-5-3-4-10(11)14-18-13(19-21-14)6-8-20-9-12(15)16/h10-12,17H,2-9H2,1H3
InChIKeyDLJTULAYRRIOCI-UHFFFAOYSA-N
XLogP2.53
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-propylcyclopentan-1-amine?
The IUPAC name of 2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-propylcyclopentan-1-amine (CID 103151059) is 2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-propylcyclopentan-1-amine.
What is the SMILES notation for 2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-propylcyclopentan-1-amine?
The canonical SMILES for 2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-propylcyclopentan-1-amine is CCCNC1CCCC1c1nc(CCOCC(F)F)no1.
What is the InChIKey of 2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-propylcyclopentan-1-amine?
The InChIKey is DLJTULAYRRIOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2N3O2/c1-2-7-17-11-5-3-4-10(11)14-18-13(19-21-14)6-8-20-9-12(15)16/h10-12,17H,2-9H2,1H3.
What are the key properties of 2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-propylcyclopentan-1-amine?
2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-propylcyclopentan-1-amine has a molecular weight of 303.35 g/mol, XLogP of 2.53, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-propylcyclopentan-1-amine is sourced from PubChem (CID 103151059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).