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

C14H25F2N3O2 — CID 103151040

IUPAC1-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
SMILESCCCNC(CCC)Cc1nc(CCOCC(F)F)no1
InChIInChI=1S/C14H25F2N3O2/c1-3-5-11(17-7-4-2)9-14-18-13(19-21-14)6-8-20-10-12(15)16/h11-12,17H,3-10H2,1-2H3
InChIKeyVZMVNJFVLDNXCA-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.60
Rot. Bonds12

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

1-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine (PubChem CID 103151040) has the molecular formula C14H25F2N3O2 and a molecular weight of 305.37 g/mol. Its IUPAC name is 1-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
PubChem CID103151040
Molecular FormulaC14H25F2N3O2
Molecular Weight305.37 g/mol
Exact Mass305.19
IUPAC Name1-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
SMILESCCCNC(CCC)Cc1nc(CCOCC(F)F)no1
InChIInChI=1S/C14H25F2N3O2/c1-3-5-11(17-7-4-2)9-14-18-13(19-21-14)6-8-20-10-12(15)16/h11-12,17H,3-10H2,1-2H3
InChIKeyVZMVNJFVLDNXCA-UHFFFAOYSA-N
XLogP2.60
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.60
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 1-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine?
The IUPAC name of 1-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine (CID 103151040) is 1-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine.
What is the SMILES notation for 1-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine?
The canonical SMILES for 1-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine is CCCNC(CCC)Cc1nc(CCOCC(F)F)no1.
What is the InChIKey of 1-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine?
The InChIKey is VZMVNJFVLDNXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2N3O2/c1-3-5-11(17-7-4-2)9-14-18-13(19-21-14)6-8-20-10-12(15)16/h11-12,17H,3-10H2,1-2H3.
What are the key properties of 1-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine?
1-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine has a molecular weight of 305.37 g/mol, XLogP of 2.60, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine is sourced from PubChem (CID 103151040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).