4,4-dimethyl-2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine

C12H20F3N3O — CID 107473490

IUPAC4,4-dimethyl-2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCC(C)(C)CC(CN)c1nc(CCC(F)(F)F)no1
InChIInChI=1S/C12H20F3N3O/c1-11(2,3)6-8(7-16)10-17-9(18-19-10)4-5-12(13,14)15/h8H,4-7,16H2,1-3H3
InChIKeyPXWDPVIKQPJWGE-UHFFFAOYSA-N
MW279.31 g/mol
LogP3.04
Rot. Bonds5

About 4,4-dimethyl-2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine

4,4-dimethyl-2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (PubChem CID 107473490) has the molecular formula C12H20F3N3O and a molecular weight of 279.31 g/mol. Its IUPAC name is 4,4-dimethyl-2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
PubChem CID107473490
Molecular FormulaC12H20F3N3O
Molecular Weight279.31 g/mol
Exact Mass279.16
IUPAC Name4,4-dimethyl-2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCC(C)(C)CC(CN)c1nc(CCC(F)(F)F)no1
InChIInChI=1S/C12H20F3N3O/c1-11(2,3)6-8(7-16)10-17-9(18-19-10)4-5-12(13,14)15/h8H,4-7,16H2,1-3H3
InChIKeyPXWDPVIKQPJWGE-UHFFFAOYSA-N
XLogP3.04
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4,4-dimethyl-2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 79954560
2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-4,4-dimethylpentan-1-amine
CID 107473689
3-methyl-2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 79953254
1-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 79954731
2-amino-2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 79954872
2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol
CID 79964951
2,3-dimethyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 79953399
4,4-dimethyl-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 107473647
4-methyl-3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 79965293
2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-3-one
CID 79964177
4,4-dimethyl-2-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 107473508
(R)-(2-chlorophenyl)-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 107315560

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The IUPAC name of 4,4-dimethyl-2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (CID 107473490) is 4,4-dimethyl-2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.
What is the SMILES notation for 4,4-dimethyl-2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The canonical SMILES for 4,4-dimethyl-2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is CC(C)(C)CC(CN)c1nc(CCC(F)(F)F)no1.
What is the InChIKey of 4,4-dimethyl-2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The InChIKey is PXWDPVIKQPJWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O/c1-11(2,3)6-8(7-16)10-17-9(18-19-10)4-5-12(13,14)15/h8H,4-7,16H2,1-3H3.
What are the key properties of 4,4-dimethyl-2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
4,4-dimethyl-2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine has a molecular weight of 279.31 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is sourced from PubChem (CID 107473490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).