3-[5-(2,6-difluoro-3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine

C15H19F2N3O — CID 82800202

IUPAC3-[5-(2,6-difluoro-3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
SMILESCCCNCCCc1nnc(-c2c(F)ccc(C)c2F)o1
InChIInChI=1S/C15H19F2N3O/c1-3-8-18-9-4-5-12-19-20-15(21-12)13-11(16)7-6-10(2)14(13)17/h6-7,18H,3-5,8-9H2,1-2H3
InChIKeyHRDAYUBXFBRRAD-UHFFFAOYSA-N
MW295.33 g/mol
LogP3.26
Rot. Bonds7

About 3-[5-(2,6-difluoro-3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine

3-[5-(2,6-difluoro-3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine (PubChem CID 82800202) has the molecular formula C15H19F2N3O and a molecular weight of 295.33 g/mol. Its IUPAC name is 3-[5-(2,6-difluoro-3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-[5-(2,6-difluoro-3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
PubChem CID82800202
Molecular FormulaC15H19F2N3O
Molecular Weight295.33 g/mol
Exact Mass295.15
IUPAC Name3-[5-(2,6-difluoro-3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
SMILESCCCNCCCc1nnc(-c2c(F)ccc(C)c2F)o1
InChIInChI=1S/C15H19F2N3O/c1-3-8-18-9-4-5-12-19-20-15(21-12)13-11(16)7-6-10(2)14(13)17/h6-7,18H,3-5,8-9H2,1-2H3
InChIKeyHRDAYUBXFBRRAD-UHFFFAOYSA-N
XLogP3.26
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[5-(5-chloro-2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 82890807
3-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62138175
3-[5-(2,3-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62136756
N-ethyl-3-[5-(4-fluoro-3-methylphenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 63211469
3-[5-(3-chloro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 63195140
3-[5-(2-bromo-5-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62138540
3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62138559
3-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 55039506
N-propyl-3-(5-pyridazin-4-yl-1,3,4-oxadiazol-2-yl)propan-1-amine
CID 104672330
3-[5-(3-bromo-5-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 107940869
N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 55044396
3-[5-(3-bromo-4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
CID 107952642

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,6-difluoro-3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
The IUPAC name of 3-[5-(2,6-difluoro-3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine (CID 82800202) is 3-[5-(2,6-difluoro-3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine.
What is the SMILES notation for 3-[5-(2,6-difluoro-3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
The canonical SMILES for 3-[5-(2,6-difluoro-3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine is CCCNCCCc1nnc(-c2c(F)ccc(C)c2F)o1.
What is the InChIKey of 3-[5-(2,6-difluoro-3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
The InChIKey is HRDAYUBXFBRRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O/c1-3-8-18-9-4-5-12-19-20-15(21-12)13-11(16)7-6-10(2)14(13)17/h6-7,18H,3-5,8-9H2,1-2H3.
What are the key properties of 3-[5-(2,6-difluoro-3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
3-[5-(2,6-difluoro-3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine has a molecular weight of 295.33 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,6-difluoro-3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine is sourced from PubChem (CID 82800202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).