5-(methylsulfanylmethyl)-1,2-oxazol-3-amine

C5H8N2OS — CID 117216906

IUPAC5-(methylsulfanylmethyl)-1,2-oxazol-3-amine
SMILESCSCc1cc(N)no1
InChIInChI=1S/C5H8N2OS/c1-9-3-4-2-5(6)7-8-4/h2H,3H2,1H3,(H2,6,7)
InChIKeyKRFQJCWVVHGMMV-UHFFFAOYSA-N
MW144.20 g/mol
LogP1.12
Rot. Bonds2

About 5-(methylsulfanylmethyl)-1,2-oxazol-3-amine

5-(methylsulfanylmethyl)-1,2-oxazol-3-amine (PubChem CID 117216906) has the molecular formula C5H8N2OS and a molecular weight of 144.20 g/mol. Its IUPAC name is 5-(methylsulfanylmethyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(methylsulfanylmethyl)-1,2-oxazol-3-amine
PubChem CID117216906
Molecular FormulaC5H8N2OS
Molecular Weight144.20 g/mol
Exact Mass144.04
IUPAC Name5-(methylsulfanylmethyl)-1,2-oxazol-3-amine
SMILESCSCc1cc(N)no1
InChIInChI=1S/C5H8N2OS/c1-9-3-4-2-5(6)7-8-4/h2H,3H2,1H3,(H2,6,7)
InChIKeyKRFQJCWVVHGMMV-UHFFFAOYSA-N
XLogP1.12
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.20
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(methylsulfanylmethyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(methylsulfanylmethyl)-1,2-oxazol-3-amine (CID 117216906) is 5-(methylsulfanylmethyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(methylsulfanylmethyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(methylsulfanylmethyl)-1,2-oxazol-3-amine is CSCc1cc(N)no1.
What is the InChIKey of 5-(methylsulfanylmethyl)-1,2-oxazol-3-amine?
The InChIKey is KRFQJCWVVHGMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2OS/c1-9-3-4-2-5(6)7-8-4/h2H,3H2,1H3,(H2,6,7).
What are the key properties of 5-(methylsulfanylmethyl)-1,2-oxazol-3-amine?
5-(methylsulfanylmethyl)-1,2-oxazol-3-amine has a molecular weight of 144.20 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylsulfanylmethyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 117216906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).