3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine

C14H17F2N3O — CID 63348439

IUPAC3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
SMILESCCC(c1nc(-c2ccc(F)c(F)c2)no1)C(C)NC
InChIInChI=1S/C14H17F2N3O/c1-4-10(8(2)17-3)14-18-13(19-20-14)9-5-6-11(15)12(16)7-9/h5-8,10,17H,4H2,1-3H3
InChIKeyPASHZCXHQVONRA-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.12
Rot. Bonds5

About 3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine

3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine (PubChem CID 63348439) has the molecular formula C14H17F2N3O and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine.

Molecular Properties

Compound Name3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
PubChem CID63348439
Molecular FormulaC14H17F2N3O
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
SMILESCCC(c1nc(-c2ccc(F)c(F)c2)no1)C(C)NC
InChIInChI=1S/C14H17F2N3O/c1-4-10(8(2)17-3)14-18-13(19-20-14)9-5-6-11(15)12(16)7-9/h5-8,10,17H,4H2,1-3H3
InChIKeyPASHZCXHQVONRA-UHFFFAOYSA-N
XLogP3.12
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-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

3-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 63348340
N-methyl-3-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63348649
N-ethyl-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63347939
(1R)-1-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901533
3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 63352155
3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 63344808
(1R)-1-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 103832498
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
CID 63347982
4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 63348620
N-methyl-3-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 65197557
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 63345437
3-(3,4-difluorophenyl)-N-methyl-1,2,4-oxadiazol-5-amine
CID 62594651

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine?
The IUPAC name of 3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine (CID 63348439) is 3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine.
What is the SMILES notation for 3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine?
The canonical SMILES for 3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine is CCC(c1nc(-c2ccc(F)c(F)c2)no1)C(C)NC.
What is the InChIKey of 3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine?
The InChIKey is PASHZCXHQVONRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O/c1-4-10(8(2)17-3)14-18-13(19-20-14)9-5-6-11(15)12(16)7-9/h5-8,10,17H,4H2,1-3H3.
What are the key properties of 3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine?
3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine has a molecular weight of 281.31 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine is sourced from PubChem (CID 63348439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).