5-(2,2-difluorocyclopropyl)-N-pentan-3-yl-1,3,4-oxadiazol-2-amine

C10H15F2N3O — CID 166316906

IUPAC5-(2,2-difluorocyclopropyl)-N-pentan-3-yl-1,3,4-oxadiazol-2-amine
SMILESCCC(CC)Nc1nnc(C2CC2(F)F)o1
InChIInChI=1S/C10H15F2N3O/c1-3-6(4-2)13-9-15-14-8(16-9)7-5-10(7,11)12/h6-7H,3-5H2,1-2H3,(H,13,15)
InChIKeyASCWDVHFSHJUCN-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.79
Rot. Bonds5

About 5-(2,2-difluorocyclopropyl)-N-pentan-3-yl-1,3,4-oxadiazol-2-amine

5-(2,2-difluorocyclopropyl)-N-pentan-3-yl-1,3,4-oxadiazol-2-amine (PubChem CID 166316906) has the molecular formula C10H15F2N3O and a molecular weight of 231.25 g/mol. Its IUPAC name is 5-(2,2-difluorocyclopropyl)-N-pentan-3-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2,2-difluorocyclopropyl)-N-pentan-3-yl-1,3,4-oxadiazol-2-amine
PubChem CID166316906
Molecular FormulaC10H15F2N3O
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC Name5-(2,2-difluorocyclopropyl)-N-pentan-3-yl-1,3,4-oxadiazol-2-amine
SMILESCCC(CC)Nc1nnc(C2CC2(F)F)o1
InChIInChI=1S/C10H15F2N3O/c1-3-6(4-2)13-9-15-14-8(16-9)7-5-10(7,11)12/h6-7H,3-5H2,1-2H3,(H,13,15)
InChIKeyASCWDVHFSHJUCN-UHFFFAOYSA-N
XLogP2.79
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-aminoethyl)-N-pentan-3-yl-1,3,4-oxadiazol-2-amine
CID 106967664
N-(1-cyclopropylbutan-2-yl)-5-(methylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106961626
5-(difluoromethyl)-N-[1-(2,2-dimethylcyclopropyl)propyl]-1,3,4-oxadiazol-2-amine
CID 131962107
5-[(cyclopropylamino)methyl]-N-hexan-3-yl-1,3,4-oxadiazol-2-amine
CID 106960442
5-[(cyclopropylamino)methyl]-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106965521
2-N-(1-methoxybutan-2-yl)-1,3,4-oxadiazole-2,5-diamine
CID 103437094
5-(aminomethyl)-N-(1-methoxybutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106962109
5-(2-aminoethyl)-N-hexan-3-yl-1,3,4-oxadiazol-2-amine
CID 106960441
2-(1-bromopropyl)-5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazole
CID 107000560
5-(ethylaminomethyl)-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106965526
5-[1-(methylamino)ethyl]-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106965523
5-methyl-N-(3-methylpentan-2-yl)-1,3,4-oxadiazol-2-amine
CID 131102213

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluorocyclopropyl)-N-pentan-3-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2,2-difluorocyclopropyl)-N-pentan-3-yl-1,3,4-oxadiazol-2-amine (CID 166316906) is 5-(2,2-difluorocyclopropyl)-N-pentan-3-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2,2-difluorocyclopropyl)-N-pentan-3-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2,2-difluorocyclopropyl)-N-pentan-3-yl-1,3,4-oxadiazol-2-amine is CCC(CC)Nc1nnc(C2CC2(F)F)o1.
What is the InChIKey of 5-(2,2-difluorocyclopropyl)-N-pentan-3-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is ASCWDVHFSHJUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O/c1-3-6(4-2)13-9-15-14-8(16-9)7-5-10(7,11)12/h6-7H,3-5H2,1-2H3,(H,13,15).
What are the key properties of 5-(2,2-difluorocyclopropyl)-N-pentan-3-yl-1,3,4-oxadiazol-2-amine?
5-(2,2-difluorocyclopropyl)-N-pentan-3-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 231.25 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluorocyclopropyl)-N-pentan-3-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 166316906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).