2-(furan-2-ylmethylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C11H12N2O3S — CID 4112688

IUPAC2-(furan-2-ylmethylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSCc2ccco2)no1
InChIInChI=1S/C11H12N2O3S/c1-8-5-10(13-16-8)12-11(14)7-17-6-9-3-2-4-15-9/h2-5H,6-7H2,1H3,(H,12,13,14)
InChIKeyALTQSDDPMQCBMF-UHFFFAOYSA-N
MW252.29 g/mol
LogP2.45
Rot. Bonds5

About 2-(furan-2-ylmethylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-(furan-2-ylmethylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 4112688) has the molecular formula C11H12N2O3S and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-(furan-2-ylmethylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(furan-2-ylmethylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID4112688
Molecular FormulaC11H12N2O3S
Molecular Weight252.29 g/mol
Exact Mass252.06
IUPAC Name2-(furan-2-ylmethylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSCc2ccco2)no1
InChIInChI=1S/C11H12N2O3S/c1-8-5-10(13-16-8)12-11(14)7-17-6-9-3-2-4-15-9/h2-5H,6-7H2,1H3,(H,12,13,14)
InChIKeyALTQSDDPMQCBMF-UHFFFAOYSA-N
XLogP2.45
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-(furan-2-ylmethylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 4112688) is 2-(furan-2-ylmethylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-(furan-2-ylmethylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-(furan-2-ylmethylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CSCc2ccco2)no1.
What is the InChIKey of 2-(furan-2-ylmethylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is ALTQSDDPMQCBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-8-5-10(13-16-8)12-11(14)7-17-6-9-3-2-4-15-9/h2-5H,6-7H2,1H3,(H,12,13,14).
What are the key properties of 2-(furan-2-ylmethylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-(furan-2-ylmethylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 252.29 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 4112688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).