1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,3-thiazole

C11H11N5O3S — CID 161253242

IUPAC1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,3-thiazole
SMILESc1cnoc1.c1cocn1.c1cscn1.c1ncon1
InChIInChI=1S/2C3H3NO.C3H3NS.C2H2N2O/c1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-3-2-5-4-1/h3*1-3H;1-2H
InChIKeyVBOANRNXPORLOB-UHFFFAOYSA-N
MW293.31 g/mol
LogP2.56
Rot. Bonds

About 1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,3-thiazole

1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,3-thiazole (PubChem CID 161253242) has the molecular formula C11H11N5O3S and a molecular weight of 293.31 g/mol. Its IUPAC name is 1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,3-thiazole.

Molecular Properties

Compound Name1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,3-thiazole
PubChem CID161253242
Molecular FormulaC11H11N5O3S
Molecular Weight293.31 g/mol
Exact Mass293.06
IUPAC Name1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,3-thiazole
SMILESc1cnoc1.c1cocn1.c1cscn1.c1ncon1
InChIInChI=1S/2C3H3NO.C3H3NS.C2H2N2O/c1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-3-2-5-4-1/h3*1-3H;1-2H
InChIKeyVBOANRNXPORLOB-UHFFFAOYSA-N
XLogP2.56
TPSA103.87 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-Oxazole;1,3-oxazole;1,3-thiazole
CID 158679265
1,2-Oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole
CID 159034208
Oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;bis(1,2-oxazole);1,3-oxazole;thiadiazole;1,2,4-thiadiazole;1,2,5-thiadiazole;1,3,4-thiadiazole;1,3-thiazole
CID 159314954
Oxadiazole;1,2-oxazole;1,3-oxazole;1,3-thiazole
CID 160810480
1,2-Oxazole;1,3-oxazole;1,3-oxazolidin-2-one;1,3-thiazole
CID 174450243
1H-imidazole;oxadiazole;1,2-oxazole;1,3-oxazole;1,3-thiazole
CID 174660959
1,2-Oxazole;bis(1,3-oxazole);1,3-thiazole
CID 175237722

Frequently Asked Questions

What is the IUPAC name of 1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,3-thiazole?
The IUPAC name of 1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,3-thiazole (CID 161253242) is 1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,3-thiazole.
What is the SMILES notation for 1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,3-thiazole?
The canonical SMILES for 1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,3-thiazole is c1cnoc1.c1cocn1.c1cscn1.c1ncon1.
What is the InChIKey of 1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,3-thiazole?
The InChIKey is VBOANRNXPORLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H3NO.C3H3NS.C2H2N2O/c1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-3-2-5-4-1/h3*1-3H;1-2H.
What are the key properties of 1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,3-thiazole?
1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,3-thiazole has a molecular weight of 293.31 g/mol, XLogP of 2.56, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1,3-thiazole is sourced from PubChem (CID 161253242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).