3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole

C16H20N4O2S2 — CID 144920928

IUPAC3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole
SMILESCc1ccns1.Cc1ccon1.Cc1cnoc1.Cc1cnsc1
InChIInChI=1S/2C4H5NO.2C4H5NS/c1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-4-2-5-6-3-4;1-4-2-3-5-6-4/h4*2-3H,1H3
InChIKeyJJTSFDSMLMZIAA-UHFFFAOYSA-N
MW364.50 g/mol
LogP4.87
Rot. Bonds

About 3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole

3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole (PubChem CID 144920928) has the molecular formula C16H20N4O2S2 and a molecular weight of 364.50 g/mol. Its IUPAC name is 3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole.

Molecular Properties

Compound Name3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole
PubChem CID144920928
Molecular FormulaC16H20N4O2S2
Molecular Weight364.50 g/mol
Exact Mass364.10
IUPAC Name3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole
SMILESCc1ccns1.Cc1ccon1.Cc1cnoc1.Cc1cnsc1
InChIInChI=1S/2C4H5NO.2C4H5NS/c1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-4-2-5-6-3-4;1-4-2-3-5-6-4/h4*2-3H,1H3
InChIKeyJJTSFDSMLMZIAA-UHFFFAOYSA-N
XLogP4.87
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.50
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole?
The IUPAC name of 3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole (CID 144920928) is 3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole.
What is the SMILES notation for 3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole?
The canonical SMILES for 3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole is Cc1ccns1.Cc1ccon1.Cc1cnoc1.Cc1cnsc1.
What is the InChIKey of 3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole?
The InChIKey is JJTSFDSMLMZIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H5NO.2C4H5NS/c1-4-2-5-6-3-4;1-4-2-3-6-5-4;1-4-2-5-6-3-4;1-4-2-3-5-6-4/h4*2-3H,1H3.
What are the key properties of 3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole?
3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole has a molecular weight of 364.50 g/mol, XLogP of 4.87, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,2-thiazole;5-methyl-1,2-thiazole is sourced from PubChem (CID 144920928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).