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

C12H14N4O4S — CID 174450243

IUPAC1,2-oxazole;1,3-oxazole;1,3-oxazolidin-2-one;1,3-thiazole
SMILESO=C1NCCO1.c1cnoc1.c1cocn1.c1cscn1
InChIInChI=1S/C3H5NO2.2C3H3NO.C3H3NS/c5-3-4-1-2-6-3;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1/h1-2H2,(H,4,5);3*1-3H
InChIKeyVXJNXYDKRYEAMC-UHFFFAOYSA-N
MW310.33 g/mol
LogP2.22
Rot. Bonds

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

1,2-oxazole;1,3-oxazole;1,3-oxazolidin-2-one;1,3-thiazole (PubChem CID 174450243) has the molecular formula C12H14N4O4S and a molecular weight of 310.33 g/mol. Its IUPAC name is 1,2-oxazole;1,3-oxazole;1,3-oxazolidin-2-one;1,3-thiazole.

Molecular Properties

Compound Name1,2-oxazole;1,3-oxazole;1,3-oxazolidin-2-one;1,3-thiazole
PubChem CID174450243
Molecular FormulaC12H14N4O4S
Molecular Weight310.33 g/mol
Exact Mass310.07
IUPAC Name1,2-oxazole;1,3-oxazole;1,3-oxazolidin-2-one;1,3-thiazole
SMILESO=C1NCCO1.c1cnoc1.c1cocn1.c1cscn1
InChIInChI=1S/C3H5NO2.2C3H3NO.C3H3NS/c5-3-4-1-2-6-3;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1/h1-2H2,(H,4,5);3*1-3H
InChIKeyVXJNXYDKRYEAMC-UHFFFAOYSA-N
XLogP2.22
TPSA103.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1,2-oxazole;1,3-oxazole;1,3-oxazolidin-2-one;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

Frequently Asked Questions

What is the IUPAC name of 1,2-oxazole;1,3-oxazole;1,3-oxazolidin-2-one;1,3-thiazole?
The IUPAC name of 1,2-oxazole;1,3-oxazole;1,3-oxazolidin-2-one;1,3-thiazole (CID 174450243) is 1,2-oxazole;1,3-oxazole;1,3-oxazolidin-2-one;1,3-thiazole.
What is the SMILES notation for 1,2-oxazole;1,3-oxazole;1,3-oxazolidin-2-one;1,3-thiazole?
The canonical SMILES for 1,2-oxazole;1,3-oxazole;1,3-oxazolidin-2-one;1,3-thiazole is O=C1NCCO1.c1cnoc1.c1cocn1.c1cscn1.
What is the InChIKey of 1,2-oxazole;1,3-oxazole;1,3-oxazolidin-2-one;1,3-thiazole?
The InChIKey is VXJNXYDKRYEAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO2.2C3H3NO.C3H3NS/c5-3-4-1-2-6-3;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1/h1-2H2,(H,4,5);3*1-3H.
What are the key properties of 1,2-oxazole;1,3-oxazole;1,3-oxazolidin-2-one;1,3-thiazole?
1,2-oxazole;1,3-oxazole;1,3-oxazolidin-2-one;1,3-thiazole has a molecular weight of 310.33 g/mol, XLogP of 2.22, 0 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazole;1,3-oxazole;1,3-oxazolidin-2-one;1,3-thiazole is sourced from PubChem (CID 174450243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).