1,1-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine

C8H13F2N3O — CID 106414199

IUPAC1,1-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
SMILESCc1noc(CCNC(C)C(F)F)n1
InChIInChI=1S/C8H13F2N3O/c1-5(8(9)10)11-4-3-7-12-6(2)13-14-7/h5,8,11H,3-4H2,1-2H3
InChIKeyNYWMWCNQLWRUQE-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.16
Rot. Bonds5

About 1,1-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine

1,1-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine (PubChem CID 106414199) has the molecular formula C8H13F2N3O and a molecular weight of 205.21 g/mol. Its IUPAC name is 1,1-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
PubChem CID106414199
Molecular FormulaC8H13F2N3O
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Name1,1-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
SMILESCc1noc(CCNC(C)C(F)F)n1
InChIInChI=1S/C8H13F2N3O/c1-5(8(9)10)11-4-3-7-12-6(2)13-14-7/h5,8,11H,3-4H2,1-2H3
InChIKeyNYWMWCNQLWRUQE-UHFFFAOYSA-N
XLogP1.16
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,4,5,6-Tetrahydro-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidine trifluoroacetate
CID 9838580
5-(3-Ethyl-1,2,4-oxadiazol-5-yl)-1,4,5,6-tetrahydropyrimidine
CID 9815409
CDD-0102 trifluoroacetate
CID 44274500
3-Propan-2-yl-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid
CID 44457713
5-(3-Methyl-[1,2,4]oxadiazol-5-yl)-1,4,5,6-tetrahydro-pyrimidine; TFA
CID 9838581
2-(3-Methyl-1,2,4-oxadiazol-5-yl)ethan-1-amine hydrochloride
CID 46736056
2-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)ethanamine hydrochloride
CID 68756006
2-(5-Tert-butyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 17604994
1-(5-(Difluoromethyl)-1,2,4-oxadiazol-3-yl)ethan-1-amine hydrochloride
CID 71757428
5-(Azetidin-3-yl)-3-(trifluoromethyl)-1,2,4-oxadiazole hydrochloride
CID 72716139
N-((5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)methyl)cyclopropanamine
CID 104046258
1-[5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl]ethan-1-amine hydrochloride
CID 121553376

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine?
The IUPAC name of 1,1-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine (CID 106414199) is 1,1-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine.
What is the SMILES notation for 1,1-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine?
The canonical SMILES for 1,1-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine is Cc1noc(CCNC(C)C(F)F)n1.
What is the InChIKey of 1,1-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine?
The InChIKey is NYWMWCNQLWRUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3O/c1-5(8(9)10)11-4-3-7-12-6(2)13-14-7/h5,8,11H,3-4H2,1-2H3.
What are the key properties of 1,1-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine?
1,1-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine has a molecular weight of 205.21 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine is sourced from PubChem (CID 106414199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).