4,5-dimethyl-1,3-oxazole;3,4-dimethylpyridine;2,3-dimethyl-1H-pyrrole;4,5-dimethyl-1,3-thiazole

C23H32N4OS — CID 161161922

IUPAC4,5-dimethyl-1,3-oxazole;3,4-dimethylpyridine;2,3-dimethyl-1H-pyrrole;4,5-dimethyl-1,3-thiazole
SMILESCc1cc[nH]c1C.Cc1ccncc1C.Cc1ncoc1C.Cc1ncsc1C
InChIInChI=1S/C7H9N.C6H9N.C5H7NO.C5H7NS/c1-6-3-4-8-5-7(6)2;1-5-3-4-7-6(5)2;2*1-4-5(2)7-3-6-4/h3-5H,1-2H3;3-4,7H,1-2H3;2*3H,1-2H3
InChIKeyUQAKSPKYTKQPGY-UHFFFAOYSA-N
MW412.60 g/mol
LogP6.38
Rot. Bonds

About 4,5-dimethyl-1,3-oxazole;3,4-dimethylpyridine;2,3-dimethyl-1H-pyrrole;4,5-dimethyl-1,3-thiazole

4,5-dimethyl-1,3-oxazole;3,4-dimethylpyridine;2,3-dimethyl-1H-pyrrole;4,5-dimethyl-1,3-thiazole (PubChem CID 161161922) has the molecular formula C23H32N4OS and a molecular weight of 412.60 g/mol. Its IUPAC name is 4,5-dimethyl-1,3-oxazole;3,4-dimethylpyridine;2,3-dimethyl-1H-pyrrole;4,5-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name4,5-dimethyl-1,3-oxazole;3,4-dimethylpyridine;2,3-dimethyl-1H-pyrrole;4,5-dimethyl-1,3-thiazole
PubChem CID161161922
Molecular FormulaC23H32N4OS
Molecular Weight412.60 g/mol
Exact Mass412.23
IUPAC Name4,5-dimethyl-1,3-oxazole;3,4-dimethylpyridine;2,3-dimethyl-1H-pyrrole;4,5-dimethyl-1,3-thiazole
SMILESCc1cc[nH]c1C.Cc1ccncc1C.Cc1ncoc1C.Cc1ncsc1C
InChIInChI=1S/C7H9N.C6H9N.C5H7NO.C5H7NS/c1-6-3-4-8-5-7(6)2;1-5-3-4-7-6(5)2;2*1-4-5(2)7-3-6-4/h3-5H,1-2H3;3-4,7H,1-2H3;2*3H,1-2H3
InChIKeyUQAKSPKYTKQPGY-UHFFFAOYSA-N
XLogP6.38
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.60
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1,3-oxazole;3,4-dimethylpyridine;2,3-dimethyl-1H-pyrrole;4,5-dimethyl-1,3-thiazole?
The IUPAC name of 4,5-dimethyl-1,3-oxazole;3,4-dimethylpyridine;2,3-dimethyl-1H-pyrrole;4,5-dimethyl-1,3-thiazole (CID 161161922) is 4,5-dimethyl-1,3-oxazole;3,4-dimethylpyridine;2,3-dimethyl-1H-pyrrole;4,5-dimethyl-1,3-thiazole.
What is the SMILES notation for 4,5-dimethyl-1,3-oxazole;3,4-dimethylpyridine;2,3-dimethyl-1H-pyrrole;4,5-dimethyl-1,3-thiazole?
The canonical SMILES for 4,5-dimethyl-1,3-oxazole;3,4-dimethylpyridine;2,3-dimethyl-1H-pyrrole;4,5-dimethyl-1,3-thiazole is Cc1cc[nH]c1C.Cc1ccncc1C.Cc1ncoc1C.Cc1ncsc1C.
What is the InChIKey of 4,5-dimethyl-1,3-oxazole;3,4-dimethylpyridine;2,3-dimethyl-1H-pyrrole;4,5-dimethyl-1,3-thiazole?
The InChIKey is UQAKSPKYTKQPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.C6H9N.C5H7NO.C5H7NS/c1-6-3-4-8-5-7(6)2;1-5-3-4-7-6(5)2;2*1-4-5(2)7-3-6-4/h3-5H,1-2H3;3-4,7H,1-2H3;2*3H,1-2H3.
What are the key properties of 4,5-dimethyl-1,3-oxazole;3,4-dimethylpyridine;2,3-dimethyl-1H-pyrrole;4,5-dimethyl-1,3-thiazole?
4,5-dimethyl-1,3-oxazole;3,4-dimethylpyridine;2,3-dimethyl-1H-pyrrole;4,5-dimethyl-1,3-thiazole has a molecular weight of 412.60 g/mol, XLogP of 6.38, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1,3-oxazole;3,4-dimethylpyridine;2,3-dimethyl-1H-pyrrole;4,5-dimethyl-1,3-thiazole is sourced from PubChem (CID 161161922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).