2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(oxan-3-ylmethyl)acetamide

C13H20N2O3S — CID 75681958

IUPAC2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(oxan-3-ylmethyl)acetamide
SMILESCc1nc(SCC(=O)NCC2CCCOC2)oc1C
InChIInChI=1S/C13H20N2O3S/c1-9-10(2)18-13(15-9)19-8-12(16)14-6-11-4-3-5-17-7-11/h11H,3-8H2,1-2H3,(H,14,16)
InChIKeyAPOYWPZUEFZJNW-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.93
Rot. Bonds5

About 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(oxan-3-ylmethyl)acetamide

2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(oxan-3-ylmethyl)acetamide (PubChem CID 75681958) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(oxan-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(oxan-3-ylmethyl)acetamide
PubChem CID75681958
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(oxan-3-ylmethyl)acetamide
SMILESCc1nc(SCC(=O)NCC2CCCOC2)oc1C
InChIInChI=1S/C13H20N2O3S/c1-9-10(2)18-13(15-9)19-8-12(16)14-6-11-4-3-5-17-7-11/h11H,3-8H2,1-2H3,(H,14,16)
InChIKeyAPOYWPZUEFZJNW-UHFFFAOYSA-N
XLogP1.93
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(oxan-3-ylmethyl)acetamide?
The IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(oxan-3-ylmethyl)acetamide (CID 75681958) is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(oxan-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(oxan-3-ylmethyl)acetamide?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(oxan-3-ylmethyl)acetamide is Cc1nc(SCC(=O)NCC2CCCOC2)oc1C.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(oxan-3-ylmethyl)acetamide?
The InChIKey is APOYWPZUEFZJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-9-10(2)18-13(15-9)19-8-12(16)14-6-11-4-3-5-17-7-11/h11H,3-8H2,1-2H3,(H,14,16).
What are the key properties of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(oxan-3-ylmethyl)acetamide?
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(oxan-3-ylmethyl)acetamide has a molecular weight of 284.38 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(oxan-3-ylmethyl)acetamide is sourced from PubChem (CID 75681958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).