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

C8H10N2OS — CID 157289706

IUPAC3-methyl-1,2-oxazole;2-methyl-1,3-thiazole
SMILESCc1ccon1.Cc1nccs1
InChIInChI=1S/C4H5NO.C4H5NS/c1-4-2-3-6-5-4;1-4-5-2-3-6-4/h2*2-3H,1H3
InChIKeyBAQRCBFDTUUJLB-UHFFFAOYSA-N
MW182.25 g/mol
LogP2.43
Rot. Bonds

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

3-methyl-1,2-oxazole;2-methyl-1,3-thiazole (PubChem CID 157289706) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is 3-methyl-1,2-oxazole;2-methyl-1,3-thiazole.

Molecular Properties

Compound Name3-methyl-1,2-oxazole;2-methyl-1,3-thiazole
PubChem CID157289706
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Name3-methyl-1,2-oxazole;2-methyl-1,3-thiazole
SMILESCc1ccon1.Cc1nccs1
InChIInChI=1S/C4H5NO.C4H5NS/c1-4-2-3-6-5-4;1-4-5-2-3-6-4/h2*2-3H,1H3
InChIKeyBAQRCBFDTUUJLB-UHFFFAOYSA-N
XLogP2.43
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,2-oxazole;2-methyl-1,3-thiazole?
The IUPAC name of 3-methyl-1,2-oxazole;2-methyl-1,3-thiazole (CID 157289706) is 3-methyl-1,2-oxazole;2-methyl-1,3-thiazole.
What is the SMILES notation for 3-methyl-1,2-oxazole;2-methyl-1,3-thiazole?
The canonical SMILES for 3-methyl-1,2-oxazole;2-methyl-1,3-thiazole is Cc1ccon1.Cc1nccs1.
What is the InChIKey of 3-methyl-1,2-oxazole;2-methyl-1,3-thiazole?
The InChIKey is BAQRCBFDTUUJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO.C4H5NS/c1-4-2-3-6-5-4;1-4-5-2-3-6-4/h2*2-3H,1H3.
What are the key properties of 3-methyl-1,2-oxazole;2-methyl-1,3-thiazole?
3-methyl-1,2-oxazole;2-methyl-1,3-thiazole has a molecular weight of 182.25 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,2-oxazole;2-methyl-1,3-thiazole is sourced from PubChem (CID 157289706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).