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

C7H9F2N3O — CID 90378753

IUPAC1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopropan-1-amine
SMILESCNC1(c2nc(C(F)F)no2)CC1
InChIInChI=1S/C7H9F2N3O/c1-10-7(2-3-7)6-11-5(4(8)9)12-13-6/h4,10H,2-3H2,1H3
InChIKeySIWQDEBQQQLVDG-UHFFFAOYSA-N
MW189.16 g/mol
LogP1.22
Rot. Bonds3

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

1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopropan-1-amine (PubChem CID 90378753) has the molecular formula C7H9F2N3O and a molecular weight of 189.16 g/mol. Its IUPAC name is 1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopropan-1-amine.

Molecular Properties

Compound Name1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopropan-1-amine
PubChem CID90378753
Molecular FormulaC7H9F2N3O
Molecular Weight189.16 g/mol
Exact Mass189.07
IUPAC Name1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopropan-1-amine
SMILESCNC1(c2nc(C(F)F)no2)CC1
InChIInChI=1S/C7H9F2N3O/c1-10-7(2-3-7)6-11-5(4(8)9)12-13-6/h4,10H,2-3H2,1H3
InChIKeySIWQDEBQQQLVDG-UHFFFAOYSA-N
XLogP1.22
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.16
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopropan-1-amine?
The IUPAC name of 1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopropan-1-amine (CID 90378753) is 1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopropan-1-amine.
What is the SMILES notation for 1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopropan-1-amine?
The canonical SMILES for 1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopropan-1-amine is CNC1(c2nc(C(F)F)no2)CC1.
What is the InChIKey of 1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopropan-1-amine?
The InChIKey is SIWQDEBQQQLVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O/c1-10-7(2-3-7)6-11-5(4(8)9)12-13-6/h4,10H,2-3H2,1H3.
What are the key properties of 1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopropan-1-amine?
1-[3-(difluoromethyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopropan-1-amine has a molecular weight of 189.16 g/mol, XLogP of 1.22, 3 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-methylcyclopropan-1-amine is sourced from PubChem (CID 90378753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).