2-(2-methylsulfanylpentan-3-yl)-1,3-oxazole-4-carboxamide

C10H16N2O2S — CID 123239674

IUPAC2-(2-methylsulfanylpentan-3-yl)-1,3-oxazole-4-carboxamide
SMILESCCC(c1nc(C(N)=O)co1)C(C)SC
InChIInChI=1S/C10H16N2O2S/c1-4-7(6(2)15-3)10-12-8(5-14-10)9(11)13/h5-7H,4H2,1-3H3,(H2,11,13)
InChIKeyQOSLXWOVSVUXAH-UHFFFAOYSA-N
MW228.32 g/mol
LogP2.02
Rot. Bonds5

About 2-(2-methylsulfanylpentan-3-yl)-1,3-oxazole-4-carboxamide

2-(2-methylsulfanylpentan-3-yl)-1,3-oxazole-4-carboxamide (PubChem CID 123239674) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-(2-methylsulfanylpentan-3-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-methylsulfanylpentan-3-yl)-1,3-oxazole-4-carboxamide
PubChem CID123239674
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name2-(2-methylsulfanylpentan-3-yl)-1,3-oxazole-4-carboxamide
SMILESCCC(c1nc(C(N)=O)co1)C(C)SC
InChIInChI=1S/C10H16N2O2S/c1-4-7(6(2)15-3)10-12-8(5-14-10)9(11)13/h5-7H,4H2,1-3H3,(H2,11,13)
InChIKeyQOSLXWOVSVUXAH-UHFFFAOYSA-N
XLogP2.02
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfanylpentan-3-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(2-methylsulfanylpentan-3-yl)-1,3-oxazole-4-carboxamide (CID 123239674) is 2-(2-methylsulfanylpentan-3-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(2-methylsulfanylpentan-3-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(2-methylsulfanylpentan-3-yl)-1,3-oxazole-4-carboxamide is CCC(c1nc(C(N)=O)co1)C(C)SC.
What is the InChIKey of 2-(2-methylsulfanylpentan-3-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is QOSLXWOVSVUXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-4-7(6(2)15-3)10-12-8(5-14-10)9(11)13/h5-7H,4H2,1-3H3,(H2,11,13).
What are the key properties of 2-(2-methylsulfanylpentan-3-yl)-1,3-oxazole-4-carboxamide?
2-(2-methylsulfanylpentan-3-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 228.32 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfanylpentan-3-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 123239674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).