2,5-dimethyl-1,3-oxazole;5-methyl-1H-pyrazole;5-methyl-1H-1,2,4-triazole

C12H18N6O — CID 178111368

IUPAC2,5-dimethyl-1,3-oxazole;5-methyl-1H-pyrazole;5-methyl-1H-1,2,4-triazole
SMILESCc1ccn[nH]1.Cc1cnc(C)o1.Cc1ncn[nH]1
InChIInChI=1S/C5H7NO.C4H6N2.C3H5N3/c1-4-3-6-5(2)7-4;1-4-2-3-5-6-4;1-3-4-2-5-6-3/h3H,1-2H3;2-3H,1H3,(H,5,6);2H,1H3,(H,4,5,6)
InChIKeyRTCFXSLXPYIHFU-UHFFFAOYSA-N
MW262.32 g/mol
LogP2.12
Rot. Bonds

About 2,5-dimethyl-1,3-oxazole;5-methyl-1H-pyrazole;5-methyl-1H-1,2,4-triazole

2,5-dimethyl-1,3-oxazole;5-methyl-1H-pyrazole;5-methyl-1H-1,2,4-triazole (PubChem CID 178111368) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 2,5-dimethyl-1,3-oxazole;5-methyl-1H-pyrazole;5-methyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name2,5-dimethyl-1,3-oxazole;5-methyl-1H-pyrazole;5-methyl-1H-1,2,4-triazole
PubChem CID178111368
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name2,5-dimethyl-1,3-oxazole;5-methyl-1H-pyrazole;5-methyl-1H-1,2,4-triazole
SMILESCc1ccn[nH]1.Cc1cnc(C)o1.Cc1ncn[nH]1
InChIInChI=1S/C5H7NO.C4H6N2.C3H5N3/c1-4-3-6-5(2)7-4;1-4-2-3-5-6-4;1-3-4-2-5-6-3/h3H,1-2H3;2-3H,1H3,(H,5,6);2H,1H3,(H,4,5,6)
InChIKeyRTCFXSLXPYIHFU-UHFFFAOYSA-N
XLogP2.12
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,3-oxazole;5-methyl-1H-pyrazole;5-methyl-1H-1,2,4-triazole?
The IUPAC name of 2,5-dimethyl-1,3-oxazole;5-methyl-1H-pyrazole;5-methyl-1H-1,2,4-triazole (CID 178111368) is 2,5-dimethyl-1,3-oxazole;5-methyl-1H-pyrazole;5-methyl-1H-1,2,4-triazole.
What is the SMILES notation for 2,5-dimethyl-1,3-oxazole;5-methyl-1H-pyrazole;5-methyl-1H-1,2,4-triazole?
The canonical SMILES for 2,5-dimethyl-1,3-oxazole;5-methyl-1H-pyrazole;5-methyl-1H-1,2,4-triazole is Cc1ccn[nH]1.Cc1cnc(C)o1.Cc1ncn[nH]1.
What is the InChIKey of 2,5-dimethyl-1,3-oxazole;5-methyl-1H-pyrazole;5-methyl-1H-1,2,4-triazole?
The InChIKey is RTCFXSLXPYIHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO.C4H6N2.C3H5N3/c1-4-3-6-5(2)7-4;1-4-2-3-5-6-4;1-3-4-2-5-6-3/h3H,1-2H3;2-3H,1H3,(H,5,6);2H,1H3,(H,4,5,6).
What are the key properties of 2,5-dimethyl-1,3-oxazole;5-methyl-1H-pyrazole;5-methyl-1H-1,2,4-triazole?
2,5-dimethyl-1,3-oxazole;5-methyl-1H-pyrazole;5-methyl-1H-1,2,4-triazole has a molecular weight of 262.32 g/mol, XLogP of 2.12, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1,3-oxazole;5-methyl-1H-pyrazole;5-methyl-1H-1,2,4-triazole is sourced from PubChem (CID 178111368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).