1,3-oxazole;pyrazine;pyridine;pyrimidine;3H-pyrrole;1,3-thiazole;1,3,5-triazine

C26H27N11OS — CID 159524761

IUPAC1,3-oxazole;pyrazine;pyridine;pyrimidine;3H-pyrrole;1,3-thiazole;1,3,5-triazine
SMILESC1=CN=CC1.c1ccncc1.c1cnccn1.c1cncnc1.c1cocn1.c1cscn1.c1ncncn1
InChIInChI=1S/C5H5N.2C4H4N2.C4H5N.C3H3N3.C3H3NO.C3H3NS/c1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-5-3-1;1-4-2-6-3-5-1;2*1-2-5-3-4-1/h1-5H;2*1-4H;1,3-4H,2H2;1-3H;2*1-3H
InChIKeyMCGAWZVRYZAOEN-UHFFFAOYSA-N
MW541.65 g/mol
LogP4.70
Rot. Bonds

About 1,3-oxazole;pyrazine;pyridine;pyrimidine;3H-pyrrole;1,3-thiazole;1,3,5-triazine

1,3-oxazole;pyrazine;pyridine;pyrimidine;3H-pyrrole;1,3-thiazole;1,3,5-triazine (PubChem CID 159524761) has the molecular formula C26H27N11OS and a molecular weight of 541.65 g/mol. Its IUPAC name is 1,3-oxazole;pyrazine;pyridine;pyrimidine;3H-pyrrole;1,3-thiazole;1,3,5-triazine.

Molecular Properties

Compound Name1,3-oxazole;pyrazine;pyridine;pyrimidine;3H-pyrrole;1,3-thiazole;1,3,5-triazine
PubChem CID159524761
Molecular FormulaC26H27N11OS
Molecular Weight541.65 g/mol
Exact Mass541.21
IUPAC Name1,3-oxazole;pyrazine;pyridine;pyrimidine;3H-pyrrole;1,3-thiazole;1,3,5-triazine
SMILESC1=CN=CC1.c1ccncc1.c1cnccn1.c1cncnc1.c1cocn1.c1cscn1.c1ncncn1
InChIInChI=1S/C5H5N.2C4H4N2.C4H5N.C3H3N3.C3H3NO.C3H3NS/c1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-5-3-1;1-4-2-6-3-5-1;2*1-2-5-3-4-1/h1-5H;2*1-4H;1,3-4H,2H2;1-3H;2*1-3H
InChIKeyMCGAWZVRYZAOEN-UHFFFAOYSA-N
XLogP4.70
TPSA154.40 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.65
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

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Related Compounds

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CID 157049747
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
1-methyl-3-propan-2-ylimidazol-1-ium;4-methyl-4-propan-2-ylmorpholin-4-ium;1-methyl-1-propan-2-ylpiperidin-1-ium;4-oxido-4-propan-2-ylmorpholin-4-ium;3-propan-2-yl-1H-imidazol-3-ium;4-propan-2-ylmorpholin-4-ium;3-propan-2-yl-1,3-oxazol-3-ium;1-propan-2-ylpiperidin-1-ium;1-propan-2-ylpyridin-1-ium;3-propan-2-yl-1,3-thiazol-3-ium;triethyl(propan-2-yl)azanium
CID 159282145
tetrakis(2,2-dimethylpropane);1H-imidazole;1,3-oxazole;pyridine;1,3-thiazole
CID 159320901
1H-imidazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;1,3-thiazole;1,3,5-triazine
CID 159470248
tetrakis(2,2-dimethylpropane);1H-imidazole;methane;1,3-oxazole;pyridine;1,3-thiazole
CID 159817599

Frequently Asked Questions

What is the IUPAC name of 1,3-oxazole;pyrazine;pyridine;pyrimidine;3H-pyrrole;1,3-thiazole;1,3,5-triazine?
The IUPAC name of 1,3-oxazole;pyrazine;pyridine;pyrimidine;3H-pyrrole;1,3-thiazole;1,3,5-triazine (CID 159524761) is 1,3-oxazole;pyrazine;pyridine;pyrimidine;3H-pyrrole;1,3-thiazole;1,3,5-triazine.
What is the SMILES notation for 1,3-oxazole;pyrazine;pyridine;pyrimidine;3H-pyrrole;1,3-thiazole;1,3,5-triazine?
The canonical SMILES for 1,3-oxazole;pyrazine;pyridine;pyrimidine;3H-pyrrole;1,3-thiazole;1,3,5-triazine is C1=CN=CC1.c1ccncc1.c1cnccn1.c1cncnc1.c1cocn1.c1cscn1.c1ncncn1.
What is the InChIKey of 1,3-oxazole;pyrazine;pyridine;pyrimidine;3H-pyrrole;1,3-thiazole;1,3,5-triazine?
The InChIKey is MCGAWZVRYZAOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.2C4H4N2.C4H5N.C3H3N3.C3H3NO.C3H3NS/c1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-5-3-1;1-4-2-6-3-5-1;2*1-2-5-3-4-1/h1-5H;2*1-4H;1,3-4H,2H2;1-3H;2*1-3H.
What are the key properties of 1,3-oxazole;pyrazine;pyridine;pyrimidine;3H-pyrrole;1,3-thiazole;1,3,5-triazine?
1,3-oxazole;pyrazine;pyridine;pyrimidine;3H-pyrrole;1,3-thiazole;1,3,5-triazine has a molecular weight of 541.65 g/mol, XLogP of 4.70, 0 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazole;pyrazine;pyridine;pyrimidine;3H-pyrrole;1,3-thiazole;1,3,5-triazine is sourced from PubChem (CID 159524761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).