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

C12H12N4O2S2 — CID 159034208

IUPAC1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole
SMILESc1cnoc1.c1cnsc1.c1cocn1.c1cscn1
InChIInChI=1S/2C3H3NO.2C3H3NS/c1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1/h4*1-3H
InChIKeyJVGGTWUXSADUIK-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.64
Rot. Bonds

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

1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole (PubChem CID 159034208) has the molecular formula C12H12N4O2S2 and a molecular weight of 308.39 g/mol. Its IUPAC name is 1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole.

Molecular Properties

Compound Name1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole
PubChem CID159034208
Molecular FormulaC12H12N4O2S2
Molecular Weight308.39 g/mol
Exact Mass308.04
IUPAC Name1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole
SMILESc1cnoc1.c1cnsc1.c1cocn1.c1cscn1
InChIInChI=1S/2C3H3NO.2C3H3NS/c1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1/h4*1-3H
InChIKeyJVGGTWUXSADUIK-UHFFFAOYSA-N
XLogP3.64
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole?
The IUPAC name of 1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole (CID 159034208) is 1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole.
What is the SMILES notation for 1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole?
The canonical SMILES for 1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole is c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.
What is the InChIKey of 1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole?
The InChIKey is JVGGTWUXSADUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H3NO.2C3H3NS/c1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1/h4*1-3H.
What are the key properties of 1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole?
1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole has a molecular weight of 308.39 g/mol, XLogP of 3.64, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole is sourced from PubChem (CID 159034208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).