2-methyl-1,3-oxazole;3-methylthiophene

C9H11NOS — CID 142893853

IUPAC2-methyl-1,3-oxazole;3-methylthiophene
SMILESCc1ccsc1.Cc1ncco1
InChIInChI=1S/C5H6S.C4H5NO/c1-5-2-3-6-4-5;1-4-5-2-3-6-4/h2-4H,1H3;2-3H,1H3
InChIKeyIYDJJAJFAPCXDD-UHFFFAOYSA-N
MW181.26 g/mol
LogP3.04
Rot. Bonds

About 2-methyl-1,3-oxazole;3-methylthiophene

2-methyl-1,3-oxazole;3-methylthiophene (PubChem CID 142893853) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is 2-methyl-1,3-oxazole;3-methylthiophene.

Molecular Properties

Compound Name2-methyl-1,3-oxazole;3-methylthiophene
PubChem CID142893853
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC Name2-methyl-1,3-oxazole;3-methylthiophene
SMILESCc1ccsc1.Cc1ncco1
InChIInChI=1S/C5H6S.C4H5NO/c1-5-2-3-6-4-5;1-4-5-2-3-6-4/h2-4H,1H3;2-3H,1H3
InChIKeyIYDJJAJFAPCXDD-UHFFFAOYSA-N
XLogP3.04
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-oxazole;3-methylthiophene?
The IUPAC name of 2-methyl-1,3-oxazole;3-methylthiophene (CID 142893853) is 2-methyl-1,3-oxazole;3-methylthiophene.
What is the SMILES notation for 2-methyl-1,3-oxazole;3-methylthiophene?
The canonical SMILES for 2-methyl-1,3-oxazole;3-methylthiophene is Cc1ccsc1.Cc1ncco1.
What is the InChIKey of 2-methyl-1,3-oxazole;3-methylthiophene?
The InChIKey is IYDJJAJFAPCXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6S.C4H5NO/c1-5-2-3-6-4-5;1-4-5-2-3-6-4/h2-4H,1H3;2-3H,1H3.
What are the key properties of 2-methyl-1,3-oxazole;3-methylthiophene?
2-methyl-1,3-oxazole;3-methylthiophene has a molecular weight of 181.26 g/mol, XLogP of 3.04, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-oxazole;3-methylthiophene is sourced from PubChem (CID 142893853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).