2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1,1,1-trifluoropentan-3-amine

C10H15F3N2OS — CID 106922322

IUPAC2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1,1,1-trifluoropentan-3-amine
SMILESCCC(N)C(Sc1nc(C)c(C)o1)C(F)(F)F
InChIInChI=1S/C10H15F3N2OS/c1-4-7(14)8(10(11,12)13)17-9-15-5(2)6(3)16-9/h7-8H,4,14H2,1-3H3
InChIKeyLBDLOYPUSYVQLG-UHFFFAOYSA-N
MW268.30 g/mol
LogP3.05
Rot. Bonds4

About 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1,1,1-trifluoropentan-3-amine

2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1,1,1-trifluoropentan-3-amine (PubChem CID 106922322) has the molecular formula C10H15F3N2OS and a molecular weight of 268.30 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1,1,1-trifluoropentan-3-amine.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1,1,1-trifluoropentan-3-amine
PubChem CID106922322
Molecular FormulaC10H15F3N2OS
Molecular Weight268.30 g/mol
Exact Mass268.09
IUPAC Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1,1,1-trifluoropentan-3-amine
SMILESCCC(N)C(Sc1nc(C)c(C)o1)C(F)(F)F
InChIInChI=1S/C10H15F3N2OS/c1-4-7(14)8(10(11,12)13)17-9-15-5(2)6(3)16-9/h7-8H,4,14H2,1-3H3
InChIKeyLBDLOYPUSYVQLG-UHFFFAOYSA-N
XLogP3.05
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1,1,1-trifluoropentan-3-amine with MolForge

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Related Compounds

4-Methyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazole-5-carbonitrile
CID 150786910
(E)-N-ethoxy-1-[4-methyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazol-5-yl]methanimine
CID 155231029
N-ethoxy-1-[4-methyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazol-5-yl]methanimine
CID 155231030
5-(Difluoromethyl)-4-methyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazole
CID 155231033
(E)-N-methoxy-1-[4-methyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazol-5-yl]methanimine
CID 155231151
N-methoxy-1-[4-methyl-2-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3-oxazol-5-yl]methanimine
CID 155231152
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 47025888
2,2,2-trifluoroethyl N-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]carbamate
CID 56826249
N-[3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propyl]-2,2,2-trifluoroacetamide
CID 71917028
5-Methyl-2-thiomorpholin-3-yl-4-(trifluoromethyl)-1,3-oxazole
CID 105509630
4-Methyl-2-thiomorpholin-3-yl-5-(trifluoromethyl)-1,3-oxazole
CID 105509631
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 106372988

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1,1,1-trifluoropentan-3-amine?
The IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1,1,1-trifluoropentan-3-amine (CID 106922322) is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1,1,1-trifluoropentan-3-amine.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1,1,1-trifluoropentan-3-amine?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1,1,1-trifluoropentan-3-amine is CCC(N)C(Sc1nc(C)c(C)o1)C(F)(F)F.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1,1,1-trifluoropentan-3-amine?
The InChIKey is LBDLOYPUSYVQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2OS/c1-4-7(14)8(10(11,12)13)17-9-15-5(2)6(3)16-9/h7-8H,4,14H2,1-3H3.
What are the key properties of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1,1,1-trifluoropentan-3-amine?
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1,1,1-trifluoropentan-3-amine has a molecular weight of 268.30 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1,1,1-trifluoropentan-3-amine is sourced from PubChem (CID 106922322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).