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

C9H13F2N3O — CID 58430954

IUPAC1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylcyclopropan-1-amine
SMILESCC(C)NC1(c2nc(C(F)F)no2)CC1
InChIInChI=1S/C9H13F2N3O/c1-5(2)13-9(3-4-9)8-12-7(6(10)11)14-15-8/h5-6,13H,3-4H2,1-2H3
InChIKeyGHZBDEOILAHVKW-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.99
Rot. Bonds4

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

1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylcyclopropan-1-amine (PubChem CID 58430954) has the molecular formula C9H13F2N3O and a molecular weight of 217.22 g/mol. Its IUPAC name is 1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylcyclopropan-1-amine.

Molecular Properties

Compound Name1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylcyclopropan-1-amine
PubChem CID58430954
Molecular FormulaC9H13F2N3O
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Name1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylcyclopropan-1-amine
SMILESCC(C)NC1(c2nc(C(F)F)no2)CC1
InChIInChI=1S/C9H13F2N3O/c1-5(2)13-9(3-4-9)8-12-7(6(10)11)14-15-8/h5-6,13H,3-4H2,1-2H3
InChIKeyGHZBDEOILAHVKW-UHFFFAOYSA-N
XLogP1.99
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2S)-4,4-difluorotetrahydro-1H-pyrrol-2-yl]-3-methyl-1,2,4-oxadiazole
CID 89827196
3-cyclopropyl-5-[(2S)-4,4-difluoropyrrolidin-2-yl]-1,2,4-oxadiazole
CID 69189789
5-[(2S)-4,4-difluoropyrrolidin-2-yl]-3-ethyl-1,2,4-oxadiazole
CID 110203246
N-((5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)methyl)cyclopropanamine
CID 104046258
N-[(5-Cyclopropyl-1,2,4-oxadiazol-3-YL)methyl]-4,4,4-trifluorobutanamide
CID 91775633
N-(2-{[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]amino}-2-oxoethyl)propanamide
CID 91833324
4,4,4-Trifluoro-N-{1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-YL]ethyl}butanamide
CID 91841075
5-cyclopropyl-3-[(2S)-4,4-difluoropyrrolidin-2-yl]-1,2,4-oxadiazole
CID 129563715
1-(3-Methyl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine
CID 56965657
N-propan-2-yl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]cyclopropan-1-amine
CID 58430908
N-propan-2-yl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine
CID 58431011
5-(1-fluorocyclopropyl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 59650637

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylcyclopropan-1-amine?
The IUPAC name of 1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylcyclopropan-1-amine (CID 58430954) is 1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylcyclopropan-1-amine.
What is the SMILES notation for 1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylcyclopropan-1-amine?
The canonical SMILES for 1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylcyclopropan-1-amine is CC(C)NC1(c2nc(C(F)F)no2)CC1.
What is the InChIKey of 1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylcyclopropan-1-amine?
The InChIKey is GHZBDEOILAHVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3O/c1-5(2)13-9(3-4-9)8-12-7(6(10)11)14-15-8/h5-6,13H,3-4H2,1-2H3.
What are the key properties of 1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylcyclopropan-1-amine?
1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylcyclopropan-1-amine has a molecular weight of 217.22 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylcyclopropan-1-amine is sourced from PubChem (CID 58430954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).