2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3-thiazole

C33H49N11O4S — CID 160607187

IUPAC2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3-thiazole
SMILESCc1cc(C)[nH]n1.Cc1cc(C)on1.Cc1cnc(C)[nH]1.Cc1cnc(C)s1.Cc1coc(C)n1.Cc1nnc(C)o1.Cc1noc(C)n1
InChIInChI=1S/2C5H8N2.2C5H7NO.C5H7NS.2C4H6N2O/c1-4-3-6-5(2)7-4;1-4-3-5(2)7-6-4;1-4-3-7-5(2)6-4;1-4-3-5(2)7-6-4;1-4-3-6-5(2)7-4;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3/h2*3H,1-2H3,(H,6,7);3*3H,1-2H3;2*1-2H3
InChIKeyRFAKJFRSHJDEGI-UHFFFAOYSA-N
MW695.90 g/mol
LogP7.77
Rot. Bonds

About 2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3-thiazole

2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3-thiazole (PubChem CID 160607187) has the molecular formula C33H49N11O4S and a molecular weight of 695.90 g/mol. Its IUPAC name is 2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3-thiazole
PubChem CID160607187
Molecular FormulaC33H49N11O4S
Molecular Weight695.90 g/mol
Exact Mass695.37
IUPAC Name2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3-thiazole
SMILESCc1cc(C)[nH]n1.Cc1cc(C)on1.Cc1cnc(C)[nH]1.Cc1cnc(C)s1.Cc1coc(C)n1.Cc1nnc(C)o1.Cc1noc(C)n1
InChIInChI=1S/2C5H8N2.2C5H7NO.C5H7NS.2C4H6N2O/c1-4-3-6-5(2)7-4;1-4-3-5(2)7-6-4;1-4-3-7-5(2)6-4;1-4-3-5(2)7-6-4;1-4-3-6-5(2)7-4;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3/h2*3H,1-2H3,(H,6,7);3*3H,1-2H3;2*1-2H3
InChIKeyRFAKJFRSHJDEGI-UHFFFAOYSA-N
XLogP7.77
TPSA200.15 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500695.90
LogP ≤ 57.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3-thiazole?
The IUPAC name of 2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3-thiazole (CID 160607187) is 2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3-thiazole.
What is the SMILES notation for 2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3-thiazole?
The canonical SMILES for 2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3-thiazole is Cc1cc(C)[nH]n1.Cc1cc(C)on1.Cc1cnc(C)[nH]1.Cc1cnc(C)s1.Cc1coc(C)n1.Cc1nnc(C)o1.Cc1noc(C)n1.
What is the InChIKey of 2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3-thiazole?
The InChIKey is RFAKJFRSHJDEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H8N2.2C5H7NO.C5H7NS.2C4H6N2O/c1-4-3-6-5(2)7-4;1-4-3-5(2)7-6-4;1-4-3-7-5(2)6-4;1-4-3-5(2)7-6-4;1-4-3-6-5(2)7-4;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3/h2*3H,1-2H3,(H,6,7);3*3H,1-2H3;2*1-2H3.
What are the key properties of 2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3-thiazole?
2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3-thiazole has a molecular weight of 695.90 g/mol, XLogP of 7.77, 0 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3-thiazole is sourced from PubChem (CID 160607187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).