1,1,1-trifluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentan-3-amine

C9H13F3N2OS — CID 106922139

IUPAC1,1,1-trifluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentan-3-amine
SMILESCCC(N)C(Sc1nc(C)co1)C(F)(F)F
InChIInChI=1S/C9H13F3N2OS/c1-3-6(13)7(9(10,11)12)16-8-14-5(2)4-15-8/h4,6-7H,3,13H2,1-2H3
InChIKeyZBRWSXOJEIBOEA-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.74
Rot. Bonds4

About 1,1,1-trifluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentan-3-amine

1,1,1-trifluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentan-3-amine (PubChem CID 106922139) has the molecular formula C9H13F3N2OS and a molecular weight of 254.28 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentan-3-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentan-3-amine
PubChem CID106922139
Molecular FormulaC9H13F3N2OS
Molecular Weight254.28 g/mol
Exact Mass254.07
IUPAC Name1,1,1-trifluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentan-3-amine
SMILESCCC(N)C(Sc1nc(C)co1)C(F)(F)F
InChIInChI=1S/C9H13F3N2OS/c1-3-6(13)7(9(10,11)12)16-8-14-5(2)4-15-8/h4,6-7H,3,13H2,1-2H3
InChIKeyZBRWSXOJEIBOEA-UHFFFAOYSA-N
XLogP2.74
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-amine
CID 106922037
1-(2-bromophenyl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-amine
CID 106922077
3,3-dimethyl-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-amine
CID 106927786
N-ethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-1-amine
CID 106925908
2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylethanamine
CID 106922000
1,1,1-trifluoro-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-3-amine
CID 104602983
2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]butane-1-thiol
CID 106928123
N-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-amine
CID 106927737
1-(4-chlorophenyl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-amine
CID 106922073
3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanimidamide
CID 106922920
(1S)-1-[5-fluoro-4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanamine
CID 106923201
N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propyl]pentan-1-amine
CID 106925868

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentan-3-amine?
The IUPAC name of 1,1,1-trifluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentan-3-amine (CID 106922139) is 1,1,1-trifluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentan-3-amine.
What is the SMILES notation for 1,1,1-trifluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentan-3-amine?
The canonical SMILES for 1,1,1-trifluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentan-3-amine is CCC(N)C(Sc1nc(C)co1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentan-3-amine?
The InChIKey is ZBRWSXOJEIBOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2OS/c1-3-6(13)7(9(10,11)12)16-8-14-5(2)4-15-8/h4,6-7H,3,13H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentan-3-amine?
1,1,1-trifluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentan-3-amine has a molecular weight of 254.28 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pentan-3-amine is sourced from PubChem (CID 106922139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).