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

C13H24N2OS — CID 106922234

IUPAC4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5,5-dimethylhexan-3-amine
SMILESCCC(N)C(Sc1nc(C)c(C)o1)C(C)(C)C
InChIInChI=1S/C13H24N2OS/c1-7-10(14)11(13(4,5)6)17-12-15-8(2)9(3)16-12/h10-11H,7,14H2,1-6H3
InChIKeyZDRSFBLPLIDMDA-UHFFFAOYSA-N
MW256.41 g/mol
LogP3.54
Rot. Bonds4

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

4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5,5-dimethylhexan-3-amine (PubChem CID 106922234) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5,5-dimethylhexan-3-amine.

Molecular Properties

Compound Name4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5,5-dimethylhexan-3-amine
PubChem CID106922234
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5,5-dimethylhexan-3-amine
SMILESCCC(N)C(Sc1nc(C)c(C)o1)C(C)(C)C
InChIInChI=1S/C13H24N2OS/c1-7-10(14)11(13(4,5)6)17-12-15-8(2)9(3)16-12/h10-11H,7,14H2,1-6H3
InChIKeyZDRSFBLPLIDMDA-UHFFFAOYSA-N
XLogP3.54
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5,5-dimethylhexan-3-amine?
The IUPAC name of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5,5-dimethylhexan-3-amine (CID 106922234) is 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5,5-dimethylhexan-3-amine.
What is the SMILES notation for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5,5-dimethylhexan-3-amine?
The canonical SMILES for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5,5-dimethylhexan-3-amine is CCC(N)C(Sc1nc(C)c(C)o1)C(C)(C)C.
What is the InChIKey of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5,5-dimethylhexan-3-amine?
The InChIKey is ZDRSFBLPLIDMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-7-10(14)11(13(4,5)6)17-12-15-8(2)9(3)16-12/h10-11H,7,14H2,1-6H3.
What are the key properties of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5,5-dimethylhexan-3-amine?
4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5,5-dimethylhexan-3-amine has a molecular weight of 256.41 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5,5-dimethylhexan-3-amine is sourced from PubChem (CID 106922234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).