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

C12H22N2OS — CID 106922342

IUPAC3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4,4-dimethylpentan-2-amine
SMILESCc1nc(SC(C(C)N)C(C)(C)C)oc1C
InChIInChI=1S/C12H22N2OS/c1-7(13)10(12(4,5)6)16-11-14-8(2)9(3)15-11/h7,10H,13H2,1-6H3
InChIKeyVGKDGTLTXBHIGY-UHFFFAOYSA-N
MW242.39 g/mol
LogP3.15
Rot. Bonds3

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

3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4,4-dimethylpentan-2-amine (PubChem CID 106922342) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4,4-dimethylpentan-2-amine
PubChem CID106922342
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4,4-dimethylpentan-2-amine
SMILESCc1nc(SC(C(C)N)C(C)(C)C)oc1C
InChIInChI=1S/C12H22N2OS/c1-7(13)10(12(4,5)6)16-11-14-8(2)9(3)15-11/h7,10H,13H2,1-6H3
InChIKeyVGKDGTLTXBHIGY-UHFFFAOYSA-N
XLogP3.15
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4,4-dimethylpentan-2-amine?
The IUPAC name of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4,4-dimethylpentan-2-amine (CID 106922342) is 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4,4-dimethylpentan-2-amine.
What is the SMILES notation for 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4,4-dimethylpentan-2-amine?
The canonical SMILES for 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4,4-dimethylpentan-2-amine is Cc1nc(SC(C(C)N)C(C)(C)C)oc1C.
What is the InChIKey of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4,4-dimethylpentan-2-amine?
The InChIKey is VGKDGTLTXBHIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-7(13)10(12(4,5)6)16-11-14-8(2)9(3)15-11/h7,10H,13H2,1-6H3.
What are the key properties of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4,4-dimethylpentan-2-amine?
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4,4-dimethylpentan-2-amine has a molecular weight of 242.39 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4,4-dimethylpentan-2-amine is sourced from PubChem (CID 106922342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).