2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole

C13H19N5O3 — CID 157437153

IUPAC2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole
SMILESCc1cc(C)on1.Cc1nnc(C)o1.Cc1noc(C)n1
InChIInChI=1S/C5H7NO.2C4H6N2O/c1-4-3-5(2)7-6-4;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3/h3H,1-2H3;2*1-2H3
InChIKeyBRFYFXNFBRGKSP-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.66
Rot. Bonds

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

2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole (PubChem CID 157437153) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole
PubChem CID157437153
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC Name2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole
SMILESCc1cc(C)on1.Cc1nnc(C)o1.Cc1noc(C)n1
InChIInChI=1S/C5H7NO.2C4H6N2O/c1-4-3-5(2)7-6-4;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3/h3H,1-2H3;2*1-2H3
InChIKeyBRFYFXNFBRGKSP-UHFFFAOYSA-N
XLogP2.66
TPSA103.87 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole with MolForge

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Related Compounds

3,5-Dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole;2,5-dimethyl-1,3,4-thiadiazole
CID 144982102
2,5-Di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole
CID 158819774
Bis(3,5-dimethyl-1,2,4-oxadiazole);bis(3,5-dimethyl-1,2-oxazole)
CID 159842613
3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole;2,4-dimethyl-3H-pyrrole
CID 160028482
2,5-Di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;methane
CID 161228994
2-[2-(3-Methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1,3,4-oxadiazole
CID 166989924
2-Propan-2-yl-5-[5-[5-[5-(3-propan-2-yl-1,2-oxazol-5-yl)hexan-2-yl]-1,2,4-oxadiazol-3-yl]hexan-2-yl]-1,3,4-oxadiazole
CID 169653162

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole?
The IUPAC name of 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole (CID 157437153) is 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole is Cc1cc(C)on1.Cc1nnc(C)o1.Cc1noc(C)n1.
What is the InChIKey of 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole?
The InChIKey is BRFYFXNFBRGKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO.2C4H6N2O/c1-4-3-5(2)7-6-4;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3/h3H,1-2H3;2*1-2H3.
What are the key properties of 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole?
2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole has a molecular weight of 293.33 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 157437153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).