5-(difluoromethyl)-N-[1-(2,2-dimethylcyclopropyl)propyl]-1,3,4-oxadiazol-2-amine

C11H17F2N3O — CID 131962107

IUPAC5-(difluoromethyl)-N-[1-(2,2-dimethylcyclopropyl)propyl]-1,3,4-oxadiazol-2-amine
SMILESCCC(Nc1nnc(C(F)F)o1)C1CC1(C)C
InChIInChI=1S/C11H17F2N3O/c1-4-7(6-5-11(6,2)3)14-10-16-15-9(17-10)8(12)13/h6-8H,4-5H2,1-3H3,(H,14,16)
InChIKeyISEKEPBLUMFFKW-UHFFFAOYSA-N
MW245.27 g/mol
LogP3.24
Rot. Bonds5

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

5-(difluoromethyl)-N-[1-(2,2-dimethylcyclopropyl)propyl]-1,3,4-oxadiazol-2-amine (PubChem CID 131962107) has the molecular formula C11H17F2N3O and a molecular weight of 245.27 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-[1-(2,2-dimethylcyclopropyl)propyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(difluoromethyl)-N-[1-(2,2-dimethylcyclopropyl)propyl]-1,3,4-oxadiazol-2-amine
PubChem CID131962107
Molecular FormulaC11H17F2N3O
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name5-(difluoromethyl)-N-[1-(2,2-dimethylcyclopropyl)propyl]-1,3,4-oxadiazol-2-amine
SMILESCCC(Nc1nnc(C(F)F)o1)C1CC1(C)C
InChIInChI=1S/C11H17F2N3O/c1-4-7(6-5-11(6,2)3)14-10-16-15-9(17-10)8(12)13/h6-8H,4-5H2,1-3H3,(H,14,16)
InChIKeyISEKEPBLUMFFKW-UHFFFAOYSA-N
XLogP3.24
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(difluoromethyl)-N-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-amine
CID 131038185
N-[1-(2,2-dimethylcyclopropyl)propyl]thiadiazol-5-amine
CID 131002885
5-(2,2-difluorocyclopropyl)-N-pentan-3-yl-1,3,4-oxadiazol-2-amine
CID 166316906
N-(2,2-dimethylcyclopropyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106970394
2-(1-bromopropyl)-5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazole
CID 107000560
5-(difluoromethyl)-N-[(5S)-7,7-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-yl]-1,3,4-oxadiazol-2-amine
CID 164640894
5-(1-aminoethyl)-N-pentan-3-yl-1,3,4-oxadiazol-2-amine
CID 106967664
2-(difluoromethyl)-5-hexan-3-yl-1,3,4-oxadiazole
CID 170383410
3-[(1R)-1-[[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]amino]ethyl]phenol
CID 125139450
5-(difluoromethyl)-N-[[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-1,3,4-oxadiazol-2-amine
CID 171803378
N-[1-(1-adamantyl)propyl]-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 137345481
N-(1-cyclohexylethyl)-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106960760

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-N-[1-(2,2-dimethylcyclopropyl)propyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(difluoromethyl)-N-[1-(2,2-dimethylcyclopropyl)propyl]-1,3,4-oxadiazol-2-amine (CID 131962107) is 5-(difluoromethyl)-N-[1-(2,2-dimethylcyclopropyl)propyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(difluoromethyl)-N-[1-(2,2-dimethylcyclopropyl)propyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(difluoromethyl)-N-[1-(2,2-dimethylcyclopropyl)propyl]-1,3,4-oxadiazol-2-amine is CCC(Nc1nnc(C(F)F)o1)C1CC1(C)C.
What is the InChIKey of 5-(difluoromethyl)-N-[1-(2,2-dimethylcyclopropyl)propyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is ISEKEPBLUMFFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3O/c1-4-7(6-5-11(6,2)3)14-10-16-15-9(17-10)8(12)13/h6-8H,4-5H2,1-3H3,(H,14,16).
What are the key properties of 5-(difluoromethyl)-N-[1-(2,2-dimethylcyclopropyl)propyl]-1,3,4-oxadiazol-2-amine?
5-(difluoromethyl)-N-[1-(2,2-dimethylcyclopropyl)propyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 245.27 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-N-[1-(2,2-dimethylcyclopropyl)propyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 131962107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).