2-(1,3-oxazol-2-ylsulfanyl)propanamide

C6H8N2O2S — CID 106924624

IUPAC2-(1,3-oxazol-2-ylsulfanyl)propanamide
SMILESCC(Sc1ncco1)C(N)=O
InChIInChI=1S/C6H8N2O2S/c1-4(5(7)9)11-6-8-2-3-10-6/h2-4H,1H3,(H2,7,9)
InChIKeyBTUYLVLQLGWEOW-UHFFFAOYSA-N
MW172.21 g/mol
LogP0.64
Rot. Bonds3

About 2-(1,3-oxazol-2-ylsulfanyl)propanamide

2-(1,3-oxazol-2-ylsulfanyl)propanamide (PubChem CID 106924624) has the molecular formula C6H8N2O2S and a molecular weight of 172.21 g/mol. Its IUPAC name is 2-(1,3-oxazol-2-ylsulfanyl)propanamide.

Molecular Properties

Compound Name2-(1,3-oxazol-2-ylsulfanyl)propanamide
PubChem CID106924624
Molecular FormulaC6H8N2O2S
Molecular Weight172.21 g/mol
Exact Mass172.03
IUPAC Name2-(1,3-oxazol-2-ylsulfanyl)propanamide
SMILESCC(Sc1ncco1)C(N)=O
InChIInChI=1S/C6H8N2O2S/c1-4(5(7)9)11-6-8-2-3-10-6/h2-4H,1H3,(H2,7,9)
InChIKeyBTUYLVLQLGWEOW-UHFFFAOYSA-N
XLogP0.64
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-oxazol-2-ylsulfanyl)propanamide?
The IUPAC name of 2-(1,3-oxazol-2-ylsulfanyl)propanamide (CID 106924624) is 2-(1,3-oxazol-2-ylsulfanyl)propanamide.
What is the SMILES notation for 2-(1,3-oxazol-2-ylsulfanyl)propanamide?
The canonical SMILES for 2-(1,3-oxazol-2-ylsulfanyl)propanamide is CC(Sc1ncco1)C(N)=O.
What is the InChIKey of 2-(1,3-oxazol-2-ylsulfanyl)propanamide?
The InChIKey is BTUYLVLQLGWEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S/c1-4(5(7)9)11-6-8-2-3-10-6/h2-4H,1H3,(H2,7,9).
What are the key properties of 2-(1,3-oxazol-2-ylsulfanyl)propanamide?
2-(1,3-oxazol-2-ylsulfanyl)propanamide has a molecular weight of 172.21 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-oxazol-2-ylsulfanyl)propanamide is sourced from PubChem (CID 106924624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).