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

C8H13F2N3O — CID 62857452

IUPAC1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1nnc(C(F)F)o1
InChIInChI=1S/C8H13F2N3O/c1-3-5(11-4-2)7-12-13-8(14-7)6(9)10/h5-6,11H,3-4H2,1-2H3
InChIKeyHLZYMEAYMJXHJE-UHFFFAOYSA-N
MW205.21 g/mol
LogP2.07
Rot. Bonds5

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

1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine (PubChem CID 62857452) has the molecular formula C8H13F2N3O and a molecular weight of 205.21 g/mol. Its IUPAC name is 1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
PubChem CID62857452
Molecular FormulaC8H13F2N3O
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Name1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1nnc(C(F)F)o1
InChIInChI=1S/C8H13F2N3O/c1-3-5(11-4-2)7-12-13-8(14-7)6(9)10/h5-6,11H,3-4H2,1-2H3
InChIKeyHLZYMEAYMJXHJE-UHFFFAOYSA-N
XLogP2.07
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-4,4-difluorotetrahydro-1H-pyrrol-2-yl]-5-methyl-1,3,4-oxadiazole
CID 89827024
2-[(2S)-piperidin-2-yl]-5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole
CID 100654445
CID 89827027
CID 89827027
2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-5-(4,4,4-trifluorobutyl)-1,3,4-oxadiazole;hydrochloride
CID 126623916
2-[(2S,4R)-4-fluoropyrrolidin-2-yl]-5-(4,4,4-trifluorobutyl)-1,3,4-oxadiazole
CID 126623917
1-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-[(1-fluorocyclopropyl)methyl]methanamine
CID 176761360
N-propan-2-yl-3-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 55039650
N-[[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62136861
N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 62137035
N-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62137238
N-methyl-1-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 62137733
N-[[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 62137936

Frequently Asked Questions

What is the IUPAC name of 1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine?
The IUPAC name of 1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine (CID 62857452) is 1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine.
What is the SMILES notation for 1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine?
The canonical SMILES for 1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine is CCNC(CC)c1nnc(C(F)F)o1.
What is the InChIKey of 1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine?
The InChIKey is HLZYMEAYMJXHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3O/c1-3-5(11-4-2)7-12-13-8(14-7)6(9)10/h5-6,11H,3-4H2,1-2H3.
What are the key properties of 1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine?
1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine has a molecular weight of 205.21 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine is sourced from PubChem (CID 62857452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).