2-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine

C10H16F3N3OS — CID 79798499

IUPAC2-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine
SMILESCCC(C)SCc1noc(C(C)(N)C(F)(F)F)n1
InChIInChI=1S/C10H16F3N3OS/c1-4-6(2)18-5-7-15-8(17-16-7)9(3,14)10(11,12)13/h6H,4-5,14H2,1-3H3
InChIKeyYHGDSRRODCCKJD-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.84
Rot. Bonds5

About 2-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine

2-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine (PubChem CID 79798499) has the molecular formula C10H16F3N3OS and a molecular weight of 283.32 g/mol. Its IUPAC name is 2-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine.

Molecular Properties

Compound Name2-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine
PubChem CID79798499
Molecular FormulaC10H16F3N3OS
Molecular Weight283.32 g/mol
Exact Mass283.10
IUPAC Name2-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine
SMILESCCC(C)SCc1noc(C(C)(N)C(F)(F)F)n1
InChIInChI=1S/C10H16F3N3OS/c1-4-6(2)18-5-7-15-8(17-16-7)9(3,14)10(11,12)13/h6H,4-5,14H2,1-3H3
InChIKeyYHGDSRRODCCKJD-UHFFFAOYSA-N
XLogP2.84
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine with MolForge

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Related Compounds

3-[5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiolan-3-amine
CID 43559973
3-Methylsulfanyl-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 60810714
4-[5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl]thian-4-amine
CID 61339321
2-[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 61392971
3-Methylsulfanyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 61393004
3-[5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl]thian-3-amine
CID 62872036
2-[3-(Ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine
CID 79798078
1,1,1-Trifluoro-2-(3-propyl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 79798158
2-(3-Butan-2-yl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-amine
CID 79798165
1,1,1-Trifluoro-2-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 79798167
1,1,1-Trifluoro-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 79798238
1,1,1-Trifluoro-2-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 79798249

Frequently Asked Questions

What is the IUPAC name of 2-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine?
The IUPAC name of 2-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine (CID 79798499) is 2-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine.
What is the SMILES notation for 2-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine?
The canonical SMILES for 2-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine is CCC(C)SCc1noc(C(C)(N)C(F)(F)F)n1.
What is the InChIKey of 2-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine?
The InChIKey is YHGDSRRODCCKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3OS/c1-4-6(2)18-5-7-15-8(17-16-7)9(3,14)10(11,12)13/h6H,4-5,14H2,1-3H3.
What are the key properties of 2-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine?
2-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine has a molecular weight of 283.32 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine is sourced from PubChem (CID 79798499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).