N-(1-cyclopropylethyl)-5-(difluoromethyl)-1,3,4-oxadiazol-2-amine

C8H11F2N3O — CID 131036308

IUPACN-(1-cyclopropylethyl)-5-(difluoromethyl)-1,3,4-oxadiazol-2-amine
SMILESCC(Nc1nnc(C(F)F)o1)C1CC1
InChIInChI=1S/C8H11F2N3O/c1-4(5-2-3-5)11-8-13-12-7(14-8)6(9)10/h4-6H,2-3H2,1H3,(H,11,13)
InChIKeyOGSXXZRMHSYLRW-UHFFFAOYSA-N
MW203.19 g/mol
LogP2.22
Rot. Bonds4

About N-(1-cyclopropylethyl)-5-(difluoromethyl)-1,3,4-oxadiazol-2-amine

N-(1-cyclopropylethyl)-5-(difluoromethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 131036308) has the molecular formula C8H11F2N3O and a molecular weight of 203.19 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-5-(difluoromethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-5-(difluoromethyl)-1,3,4-oxadiazol-2-amine
PubChem CID131036308
Molecular FormulaC8H11F2N3O
Molecular Weight203.19 g/mol
Exact Mass203.09
IUPAC NameN-(1-cyclopropylethyl)-5-(difluoromethyl)-1,3,4-oxadiazol-2-amine
SMILESCC(Nc1nnc(C(F)F)o1)C1CC1
InChIInChI=1S/C8H11F2N3O/c1-4(5-2-3-5)11-8-13-12-7(14-8)6(9)10/h4-6H,2-3H2,1H3,(H,11,13)
InChIKeyOGSXXZRMHSYLRW-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 N-(1-cyclopropylethyl)-5-(difluoromethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(1-cyclopropylethyl)-5-(difluoromethyl)-1,3,4-oxadiazol-2-amine (CID 131036308) is N-(1-cyclopropylethyl)-5-(difluoromethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(1-cyclopropylethyl)-5-(difluoromethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(1-cyclopropylethyl)-5-(difluoromethyl)-1,3,4-oxadiazol-2-amine is CC(Nc1nnc(C(F)F)o1)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-5-(difluoromethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is OGSXXZRMHSYLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O/c1-4(5-2-3-5)11-8-13-12-7(14-8)6(9)10/h4-6H,2-3H2,1H3,(H,11,13).
What are the key properties of N-(1-cyclopropylethyl)-5-(difluoromethyl)-1,3,4-oxadiazol-2-amine?
N-(1-cyclopropylethyl)-5-(difluoromethyl)-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 N-(1-cyclopropylethyl)-5-(difluoromethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 131036308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).