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

C7H9F2N3O — CID 130866278

IUPAC5-(difluoromethyl)-N-[(1R,2R)-2-methylcyclopropyl]-1,3,4-oxadiazol-2-amine
SMILESC[C@@H]1C[C@H]1Nc1nnc(C(F)F)o1
InChIInChI=1S/C7H9F2N3O/c1-3-2-4(3)10-7-12-11-6(13-7)5(8)9/h3-5H,2H2,1H3,(H,10,12)/t3-,4-/m1/s1
InChIKeyQCICOVPBTAZYAU-QWWZWVQMSA-N
MW189.16 g/mol
LogP1.83
Rot. Bonds3

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

5-(difluoromethyl)-N-[(1R,2R)-2-methylcyclopropyl]-1,3,4-oxadiazol-2-amine (PubChem CID 130866278) has the molecular formula C7H9F2N3O and a molecular weight of 189.16 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-[(1R,2R)-2-methylcyclopropyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(difluoromethyl)-N-[(1R,2R)-2-methylcyclopropyl]-1,3,4-oxadiazol-2-amine
PubChem CID130866278
Molecular FormulaC7H9F2N3O
Molecular Weight189.16 g/mol
Exact Mass189.07
IUPAC Name5-(difluoromethyl)-N-[(1R,2R)-2-methylcyclopropyl]-1,3,4-oxadiazol-2-amine
SMILESC[C@@H]1C[C@H]1Nc1nnc(C(F)F)o1
InChIInChI=1S/C7H9F2N3O/c1-3-2-4(3)10-7-12-11-6(13-7)5(8)9/h3-5H,2H2,1H3,(H,10,12)/t3-,4-/m1/s1
InChIKeyQCICOVPBTAZYAU-QWWZWVQMSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-N-[(1R,2R)-2-methylcyclopropyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(difluoromethyl)-N-[(1R,2R)-2-methylcyclopropyl]-1,3,4-oxadiazol-2-amine (CID 130866278) is 5-(difluoromethyl)-N-[(1R,2R)-2-methylcyclopropyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(difluoromethyl)-N-[(1R,2R)-2-methylcyclopropyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(difluoromethyl)-N-[(1R,2R)-2-methylcyclopropyl]-1,3,4-oxadiazol-2-amine is C[C@@H]1C[C@H]1Nc1nnc(C(F)F)o1.
What is the InChIKey of 5-(difluoromethyl)-N-[(1R,2R)-2-methylcyclopropyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is QCICOVPBTAZYAU-QWWZWVQMSA-N. The full InChI is InChI=1S/C7H9F2N3O/c1-3-2-4(3)10-7-12-11-6(13-7)5(8)9/h3-5H,2H2,1H3,(H,10,12)/t3-,4-/m1/s1.
What are the key properties of 5-(difluoromethyl)-N-[(1R,2R)-2-methylcyclopropyl]-1,3,4-oxadiazol-2-amine?
5-(difluoromethyl)-N-[(1R,2R)-2-methylcyclopropyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 189.16 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-N-[(1R,2R)-2-methylcyclopropyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 130866278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).