4H-imidazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,3-thiazole

C22H23N9OS — CID 159923402

IUPAC4H-imidazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,3-thiazole
SMILESC1=NC=NC1.c1ccncc1.c1cnccn1.c1cncnc1.c1cocn1.c1cscn1
InChIInChI=1S/C5H5N.2C4H4N2.C3H4N2.C3H3NO.C3H3NS/c1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;3*1-2-5-3-4-1/h1-5H;2*1-4H;1,3H,2H2;2*1-3H
InChIKeyNYRYCCDVYWYIEX-UHFFFAOYSA-N
MW461.56 g/mol
LogP3.95
Rot. Bonds

About 4H-imidazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,3-thiazole

4H-imidazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,3-thiazole (PubChem CID 159923402) has the molecular formula C22H23N9OS and a molecular weight of 461.56 g/mol. Its IUPAC name is 4H-imidazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,3-thiazole.

Molecular Properties

Compound Name4H-imidazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,3-thiazole
PubChem CID159923402
Molecular FormulaC22H23N9OS
Molecular Weight461.56 g/mol
Exact Mass461.17
IUPAC Name4H-imidazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,3-thiazole
SMILESC1=NC=NC1.c1ccncc1.c1cnccn1.c1cncnc1.c1cocn1.c1cscn1
InChIInChI=1S/C5H5N.2C4H4N2.C3H4N2.C3H3NO.C3H3NS/c1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;3*1-2-5-3-4-1/h1-5H;2*1-4H;1,3H,2H2;2*1-3H
InChIKeyNYRYCCDVYWYIEX-UHFFFAOYSA-N
XLogP3.95
TPSA128.09 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.56
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 4H-imidazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;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

1,3-oxazole;1H-pyrazole;pyridazine;pyridine;bis(pyrimidine);1,3-thiazole
CID 157049747
1H-imidazole;1,3-oxazole;pyrazine;bis(1H-pyrazole);pyridine;pyrimidine;1,3-thiazole;bis(1H-1,2,4-triazole)
CID 157434477
1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;3H-pyrrole;1,3-thiazole
CID 157481827
Benzene;cyclohexene;ethane;1,3-oxazole;pyridine;pyrimidine;thiophene
CID 157927650
methane;2-methyl-4H-imidazole;2-methyl-1,3-oxazole;2-methylpyrazine;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole
CID 158284889
2-methyl-4H-imidazole;2-methyl-1,3-oxazole;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole
CID 158604194
2-Ethyl-1,3-oxazole;2-ethylpyridine;2-ethylpyrimidine;2-ethyl-1,3-thiazole
CID 158655434
1H-imidazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,3-thiazole;1,3,5-triazine
CID 158682412
Ethane;5-methyl-1,3-oxazole;3-methylpyridine;5-methylpyrimidine;5-methyl-1,3-thiazole
CID 159018347
tetrakis(2,2-dimethylpropane);1H-imidazole;1,3-oxazole;pyridine;1,3-thiazole
CID 159320901
1,3-oxazole;pyrazine;pyridine;pyrimidine;3H-pyrrole;1,3-thiazole;1,3,5-triazine
CID 159524761
Ethane;1-methylimidazole;1-methyl-2-methylidenepyridine;decakis(2-methylpropane);1-methyl-3-propan-2-ylimidazol-2-one;1-methylpyrazole;1-methyl-1,2,4-triazole;2-methyltriazole;1,3,4-oxadiazole;1,3-oxazole;1-propan-2-ylpyrazole;1-propan-2-yl-1,2,4-triazole;pyridine;pyrimidine;1,3-thiazole
CID 159531317

Frequently Asked Questions

What is the IUPAC name of 4H-imidazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,3-thiazole?
The IUPAC name of 4H-imidazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,3-thiazole (CID 159923402) is 4H-imidazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,3-thiazole.
What is the SMILES notation for 4H-imidazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,3-thiazole?
The canonical SMILES for 4H-imidazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,3-thiazole is C1=NC=NC1.c1ccncc1.c1cnccn1.c1cncnc1.c1cocn1.c1cscn1.
What is the InChIKey of 4H-imidazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,3-thiazole?
The InChIKey is NYRYCCDVYWYIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.2C4H4N2.C3H4N2.C3H3NO.C3H3NS/c1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;3*1-2-5-3-4-1/h1-5H;2*1-4H;1,3H,2H2;2*1-3H.
What are the key properties of 4H-imidazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,3-thiazole?
4H-imidazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,3-thiazole has a molecular weight of 461.56 g/mol, XLogP of 3.95, 0 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-imidazole;1,3-oxazole;pyrazine;pyridine;pyrimidine;1,3-thiazole is sourced from PubChem (CID 159923402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).