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

C9H9N3O2S — CID 158679265

IUPAC1,2-oxazole;1,3-oxazole;1,3-thiazole
SMILESc1cnoc1.c1cocn1.c1cscn1
InChIInChI=1S/2C3H3NO.C3H3NS/c1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1/h3*1-3H
InChIKeyIEXLAODTNFZDEC-UHFFFAOYSA-N
MW223.26 g/mol
LogP2.49
Rot. Bonds

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

1,2-oxazole;1,3-oxazole;1,3-thiazole (PubChem CID 158679265) has the molecular formula C9H9N3O2S and a molecular weight of 223.26 g/mol. Its IUPAC name is 1,2-oxazole;1,3-oxazole;1,3-thiazole.

Molecular Properties

Compound Name1,2-oxazole;1,3-oxazole;1,3-thiazole
PubChem CID158679265
Molecular FormulaC9H9N3O2S
Molecular Weight223.26 g/mol
Exact Mass223.04
IUPAC Name1,2-oxazole;1,3-oxazole;1,3-thiazole
SMILESc1cnoc1.c1cocn1.c1cscn1
InChIInChI=1S/2C3H3NO.C3H3NS/c1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1/h3*1-3H
InChIKeyIEXLAODTNFZDEC-UHFFFAOYSA-N
XLogP2.49
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,2-oxazole;1,3-oxazole;1,3-thiazole?
The IUPAC name of 1,2-oxazole;1,3-oxazole;1,3-thiazole (CID 158679265) is 1,2-oxazole;1,3-oxazole;1,3-thiazole.
What is the SMILES notation for 1,2-oxazole;1,3-oxazole;1,3-thiazole?
The canonical SMILES for 1,2-oxazole;1,3-oxazole;1,3-thiazole is c1cnoc1.c1cocn1.c1cscn1.
What is the InChIKey of 1,2-oxazole;1,3-oxazole;1,3-thiazole?
The InChIKey is IEXLAODTNFZDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H3NO.C3H3NS/c1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1/h3*1-3H.
What are the key properties of 1,2-oxazole;1,3-oxazole;1,3-thiazole?
1,2-oxazole;1,3-oxazole;1,3-thiazole has a molecular weight of 223.26 g/mol, XLogP of 2.49, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazole;1,3-oxazole;1,3-thiazole is sourced from PubChem (CID 158679265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).