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

C19H29N7O2 — CID 161454598

IUPAC2,5-dimethyl-1H-imidazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1H-pyrazole
SMILESCc1cc(C)[nH]n1.Cc1cnc(C)[nH]1.Cc1cnc(C)o1.Cc1noc(C)n1
InChIInChI=1S/2C5H8N2.C5H7NO.C4H6N2O/c1-4-3-6-5(2)7-4;1-4-3-5(2)7-6-4;1-4-3-6-5(2)7-4;1-3-5-4(2)7-6-3/h2*3H,1-2H3,(H,6,7);3H,1-2H3;1-2H3
InChIKeyWAZHLRJTACIEOJ-UHFFFAOYSA-N
MW387.49 g/mol
LogP4.03
Rot. Bonds

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

2,5-dimethyl-1H-imidazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1H-pyrazole (PubChem CID 161454598) has the molecular formula C19H29N7O2 and a molecular weight of 387.49 g/mol. Its IUPAC name is 2,5-dimethyl-1H-imidazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1H-pyrazole.

Molecular Properties

Compound Name2,5-dimethyl-1H-imidazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1H-pyrazole
PubChem CID161454598
Molecular FormulaC19H29N7O2
Molecular Weight387.49 g/mol
Exact Mass387.24
IUPAC Name2,5-dimethyl-1H-imidazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1H-pyrazole
SMILESCc1cc(C)[nH]n1.Cc1cnc(C)[nH]1.Cc1cnc(C)o1.Cc1noc(C)n1
InChIInChI=1S/2C5H8N2.C5H7NO.C4H6N2O/c1-4-3-6-5(2)7-4;1-4-3-5(2)7-6-4;1-4-3-6-5(2)7-4;1-3-5-4(2)7-6-3/h2*3H,1-2H3,(H,6,7);3H,1-2H3;1-2H3
InChIKeyWAZHLRJTACIEOJ-UHFFFAOYSA-N
XLogP4.03
TPSA122.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;2,5-di(propan-2-yl)-1,3-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;2-methyl-N-propan-2-ylpropanamide;2-(2-methylpropyl)-5-propan-2-yl-1H-imidazole
CID 157462376
2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1H-pyrazole;5-methyl-1H-1,2,4-triazole
CID 172235367

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1H-imidazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1H-pyrazole?
The IUPAC name of 2,5-dimethyl-1H-imidazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1H-pyrazole (CID 161454598) is 2,5-dimethyl-1H-imidazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1H-pyrazole.
What is the SMILES notation for 2,5-dimethyl-1H-imidazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1H-pyrazole?
The canonical SMILES for 2,5-dimethyl-1H-imidazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1H-pyrazole is Cc1cc(C)[nH]n1.Cc1cnc(C)[nH]1.Cc1cnc(C)o1.Cc1noc(C)n1.
What is the InChIKey of 2,5-dimethyl-1H-imidazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1H-pyrazole?
The InChIKey is WAZHLRJTACIEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H8N2.C5H7NO.C4H6N2O/c1-4-3-6-5(2)7-4;1-4-3-5(2)7-6-4;1-4-3-6-5(2)7-4;1-3-5-4(2)7-6-3/h2*3H,1-2H3,(H,6,7);3H,1-2H3;1-2H3.
What are the key properties of 2,5-dimethyl-1H-imidazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1H-pyrazole?
2,5-dimethyl-1H-imidazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1H-pyrazole has a molecular weight of 387.49 g/mol, XLogP of 4.03, 0 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1H-imidazole;3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1H-pyrazole is sourced from PubChem (CID 161454598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).