5-(difluoromethyl)-N-[(1-methylcyclopropyl)methyl]-1,3,4-oxadiazol-2-amine

C8H11F2N3O — CID 126987602

IUPAC5-(difluoromethyl)-N-[(1-methylcyclopropyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCC1(CNc2nnc(C(F)F)o2)CC1
InChIInChI=1S/C8H11F2N3O/c1-8(2-3-8)4-11-7-13-12-6(14-7)5(9)10/h5H,2-4H2,1H3,(H,11,13)
InChIKeyGXNIKDSBQDVHKK-UHFFFAOYSA-N
MW203.19 g/mol
LogP2.22
Rot. Bonds4

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

5-(difluoromethyl)-N-[(1-methylcyclopropyl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 126987602) has the molecular formula C8H11F2N3O and a molecular weight of 203.19 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-[(1-methylcyclopropyl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(difluoromethyl)-N-[(1-methylcyclopropyl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID126987602
Molecular FormulaC8H11F2N3O
Molecular Weight203.19 g/mol
Exact Mass203.09
IUPAC Name5-(difluoromethyl)-N-[(1-methylcyclopropyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCC1(CNc2nnc(C(F)F)o2)CC1
InChIInChI=1S/C8H11F2N3O/c1-8(2-3-8)4-11-7-13-12-6(14-7)5(9)10/h5H,2-4H2,1H3,(H,11,13)
InChIKeyGXNIKDSBQDVHKK-UHFFFAOYSA-N
XLogP2.22
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-N-[(1-methylcyclopropyl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(difluoromethyl)-N-[(1-methylcyclopropyl)methyl]-1,3,4-oxadiazol-2-amine (CID 126987602) is 5-(difluoromethyl)-N-[(1-methylcyclopropyl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(difluoromethyl)-N-[(1-methylcyclopropyl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(difluoromethyl)-N-[(1-methylcyclopropyl)methyl]-1,3,4-oxadiazol-2-amine is CC1(CNc2nnc(C(F)F)o2)CC1.
What is the InChIKey of 5-(difluoromethyl)-N-[(1-methylcyclopropyl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is GXNIKDSBQDVHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O/c1-8(2-3-8)4-11-7-13-12-6(14-7)5(9)10/h5H,2-4H2,1H3,(H,11,13).
What are the key properties of 5-(difluoromethyl)-N-[(1-methylcyclopropyl)methyl]-1,3,4-oxadiazol-2-amine?
5-(difluoromethyl)-N-[(1-methylcyclopropyl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 203.19 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-N-[(1-methylcyclopropyl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 126987602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).