3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine

C8H13F2N3O — CID 62138169

IUPAC3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
SMILESCCNCCCc1nnc(C(F)F)o1
InChIInChI=1S/C8H13F2N3O/c1-2-11-5-3-4-6-12-13-8(14-6)7(9)10/h7,11H,2-5H2,1H3
InChIKeyXHWVCFOAVSGJQV-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.55
Rot. Bonds6

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

3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine (PubChem CID 62138169) has the molecular formula C8H13F2N3O and a molecular weight of 205.21 g/mol. Its IUPAC name is 3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
PubChem CID62138169
Molecular FormulaC8H13F2N3O
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Name3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
SMILESCCNCCCc1nnc(C(F)F)o1
InChIInChI=1S/C8H13F2N3O/c1-2-11-5-3-4-6-12-13-8(14-6)7(9)10/h7,11H,2-5H2,1H3
InChIKeyXHWVCFOAVSGJQV-UHFFFAOYSA-N
XLogP1.55
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.55
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

2-(Piperidin-4-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 82184350
2-(Difluoromethyl)-5-piperidin-4-yl-1,3,4-oxadiazole
CID 168026018
N-[3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
CID 55039122
2-methyl-N-[3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propyl]propan-2-amine
CID 55039272
N-propan-2-yl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 55039650
3-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62071291
3-[5-(2,2,2-Trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62072144
N-methyl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62137248
N-[3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
CID 62137291
N-ethyl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62137800
N-propyl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62138016
3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62138544

Frequently Asked Questions

What is the IUPAC name of 3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine?
The IUPAC name of 3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine (CID 62138169) is 3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine.
What is the SMILES notation for 3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine?
The canonical SMILES for 3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine is CCNCCCc1nnc(C(F)F)o1.
What is the InChIKey of 3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine?
The InChIKey is XHWVCFOAVSGJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3O/c1-2-11-5-3-4-6-12-13-8(14-6)7(9)10/h7,11H,2-5H2,1H3.
What are the key properties of 3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine?
3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine has a molecular weight of 205.21 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine is sourced from PubChem (CID 62138169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).