1,2-oxazole;1H-pyrazole;3H-pyrazole;bis(3H-pyrrole);1,2-thiazole;1H-1,2,4-triazole

C22H27N11OS — CID 165021600

IUPAC1,2-oxazole;1H-pyrazole;3H-pyrazole;bis(3H-pyrrole);1,2-thiazole;1H-1,2,4-triazole
SMILESC1=CN=CC1.C1=CN=CC1.C1=CN=NC1.c1cn[nH]c1.c1cnoc1.c1cnsc1.c1nc[nH]n1
InChIInChI=1S/2C4H5N.2C3H4N2.C3H3NO.C3H3NS.C2H3N3/c6*1-2-4-5-3-1;1-3-2-5-4-1/h2*1,3-4H,2H2;1-2H,3H2;1-3H,(H,4,5);2*1-3H;1-2H,(H,3,4,5)
InChIKeyLFYDMEZRUMSDGB-UHFFFAOYSA-N
MW493.60 g/mol
LogP4.95
Rot. Bonds

About 1,2-oxazole;1H-pyrazole;3H-pyrazole;bis(3H-pyrrole);1,2-thiazole;1H-1,2,4-triazole

1,2-oxazole;1H-pyrazole;3H-pyrazole;bis(3H-pyrrole);1,2-thiazole;1H-1,2,4-triazole (PubChem CID 165021600) has the molecular formula C22H27N11OS and a molecular weight of 493.60 g/mol. Its IUPAC name is 1,2-oxazole;1H-pyrazole;3H-pyrazole;bis(3H-pyrrole);1,2-thiazole;1H-1,2,4-triazole.

Molecular Properties

Compound Name1,2-oxazole;1H-pyrazole;3H-pyrazole;bis(3H-pyrrole);1,2-thiazole;1H-1,2,4-triazole
PubChem CID165021600
Molecular FormulaC22H27N11OS
Molecular Weight493.60 g/mol
Exact Mass493.21
IUPAC Name1,2-oxazole;1H-pyrazole;3H-pyrazole;bis(3H-pyrrole);1,2-thiazole;1H-1,2,4-triazole
SMILESC1=CN=CC1.C1=CN=CC1.C1=CN=NC1.c1cn[nH]c1.c1cnoc1.c1cnsc1.c1nc[nH]n1
InChIInChI=1S/2C4H5N.2C3H4N2.C3H3NO.C3H3NS.C2H3N3/c6*1-2-4-5-3-1;1-3-2-5-4-1/h2*1,3-4H,2H2;1-2H,3H2;1-3H,(H,4,5);2*1-3H;1-2H,(H,3,4,5)
InChIKeyLFYDMEZRUMSDGB-UHFFFAOYSA-N
XLogP4.95
TPSA158.61 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.60
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 1,2-oxazole;1H-pyrazole;3H-pyrazole;bis(3H-pyrrole);1,2-thiazole;1H-1,2,4-triazole 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

octakis(2,2-dimethylpropane);2-methylpropane;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1H-pyrazole;bis(2H-tetrazole);1,2-thiazole;1H-1,2,4-triazole;2H-triazole
CID 157926665
octakis(2,2-dimethylpropane);2-methylpropane;1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1H-pyrazole;3H-pyrazole;bis(2H-tetrazole);1,2-thiazole;1H-1,2,4-triazole
CID 158147826
hexakis(2,2-dimethylpropane);tris(2-methylpropane);1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1H-pyrazole;bis(2H-tetrazole);1,2-thiazole;1H-1,2,4-triazole;2H-triazole
CID 158562104
nonakis(2,2-dimethylpropane);1,2,5-oxadiazole;1,2,3,5-oxatriazole;1,2-oxazole;1H-pyrazole;bis(2H-tetrazole);1,2-thiazole;1H-1,2,4-triazole;2H-triazole
CID 159079419
ethane;1,3,4-oxadiazole;1,2-oxazole;1H-pyrazole;2H-tetrazole;1,3,4-thiadiazole;1,2-thiazole;1H-1,2,4-triazole;bis(2H-triazole)
CID 160953959
ethane;1,3,4-oxadiazole;1,2-oxazole;1H-pyrazole;1,3,4-thiadiazole;1,2-thiazole;bis(1H-1,2,4-triazole);2H-triazole
CID 161555011
1,2-oxazole;1H-pyrazole;bis(3H-pyrrole);1,2-thiazole;1H-1,2,4-triazole;2H-triazole
CID 161930250

Frequently Asked Questions

What is the IUPAC name of 1,2-oxazole;1H-pyrazole;3H-pyrazole;bis(3H-pyrrole);1,2-thiazole;1H-1,2,4-triazole?
The IUPAC name of 1,2-oxazole;1H-pyrazole;3H-pyrazole;bis(3H-pyrrole);1,2-thiazole;1H-1,2,4-triazole (CID 165021600) is 1,2-oxazole;1H-pyrazole;3H-pyrazole;bis(3H-pyrrole);1,2-thiazole;1H-1,2,4-triazole.
What is the SMILES notation for 1,2-oxazole;1H-pyrazole;3H-pyrazole;bis(3H-pyrrole);1,2-thiazole;1H-1,2,4-triazole?
The canonical SMILES for 1,2-oxazole;1H-pyrazole;3H-pyrazole;bis(3H-pyrrole);1,2-thiazole;1H-1,2,4-triazole is C1=CN=CC1.C1=CN=CC1.C1=CN=NC1.c1cn[nH]c1.c1cnoc1.c1cnsc1.c1nc[nH]n1.
What is the InChIKey of 1,2-oxazole;1H-pyrazole;3H-pyrazole;bis(3H-pyrrole);1,2-thiazole;1H-1,2,4-triazole?
The InChIKey is LFYDMEZRUMSDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H5N.2C3H4N2.C3H3NO.C3H3NS.C2H3N3/c6*1-2-4-5-3-1;1-3-2-5-4-1/h2*1,3-4H,2H2;1-2H,3H2;1-3H,(H,4,5);2*1-3H;1-2H,(H,3,4,5).
What are the key properties of 1,2-oxazole;1H-pyrazole;3H-pyrazole;bis(3H-pyrrole);1,2-thiazole;1H-1,2,4-triazole?
1,2-oxazole;1H-pyrazole;3H-pyrazole;bis(3H-pyrrole);1,2-thiazole;1H-1,2,4-triazole has a molecular weight of 493.60 g/mol, XLogP of 4.95, 0 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazole;1H-pyrazole;3H-pyrazole;bis(3H-pyrrole);1,2-thiazole;1H-1,2,4-triazole is sourced from PubChem (CID 165021600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).