2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-(1-methyltriazol-4-yl)-1,3,4-oxadiazole

C12H14N6O2 — CID 167902734

IUPAC2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-(1-methyltriazol-4-yl)-1,3,4-oxadiazole
SMILESCc1noc(C)c1CCc1nnc(-c2cn(C)nn2)o1
InChIInChI=1S/C12H14N6O2/c1-7-9(8(2)20-16-7)4-5-11-14-15-12(19-11)10-6-18(3)17-13-10/h6H,4-5H2,1-3H3
InChIKeyFVCLWKDBGUQIDC-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.26
Rot. Bonds4

About 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-(1-methyltriazol-4-yl)-1,3,4-oxadiazole

2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-(1-methyltriazol-4-yl)-1,3,4-oxadiazole (PubChem CID 167902734) has the molecular formula C12H14N6O2 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-(1-methyltriazol-4-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-(1-methyltriazol-4-yl)-1,3,4-oxadiazole
PubChem CID167902734
Molecular FormulaC12H14N6O2
Molecular Weight274.28 g/mol
Exact Mass274.12
IUPAC Name2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-(1-methyltriazol-4-yl)-1,3,4-oxadiazole
SMILESCc1noc(C)c1CCc1nnc(-c2cn(C)nn2)o1
InChIInChI=1S/C12H14N6O2/c1-7-9(8(2)20-16-7)4-5-11-14-15-12(19-11)10-6-18(3)17-13-10/h6H,4-5H2,1-3H3
InChIKeyFVCLWKDBGUQIDC-UHFFFAOYSA-N
XLogP1.26
TPSA95.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-(1-methyltriazol-4-yl)-1,3,4-oxadiazole with MolForge

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Related Compounds

4-[5-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrrolidin-2-one
CID 136533794
2-(1,3-dimethylpyrazol-4-yl)-5-propyl-1,3,4-oxadiazole
CID 170382996
(3,5-dimethyl-1,2-oxazol-4-yl)methanethiol
CID 2507881
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]triazol-4-yl]ethanamine
CID 116641942
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]triazol-4-yl]methanamine
CID 62055899
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 78989481
5-(1-methyltriazol-4-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 130521162
4-(3,3-dimethylbutyl)-3,5-dimethyl-1,2-oxazole
CID 59539646
2-[[(1S,5R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CID 72855069
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropan-1-amine
CID 23006357
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 86984051
3,5-dimethyl-4-(3-piperazin-1-ylpropyl)-1,2-oxazole
CID 23006360

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-(1-methyltriazol-4-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-(1-methyltriazol-4-yl)-1,3,4-oxadiazole (CID 167902734) is 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-(1-methyltriazol-4-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-(1-methyltriazol-4-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-(1-methyltriazol-4-yl)-1,3,4-oxadiazole is Cc1noc(C)c1CCc1nnc(-c2cn(C)nn2)o1.
What is the InChIKey of 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-(1-methyltriazol-4-yl)-1,3,4-oxadiazole?
The InChIKey is FVCLWKDBGUQIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O2/c1-7-9(8(2)20-16-7)4-5-11-14-15-12(19-11)10-6-18(3)17-13-10/h6H,4-5H2,1-3H3.
What are the key properties of 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-(1-methyltriazol-4-yl)-1,3,4-oxadiazole?
2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-(1-methyltriazol-4-yl)-1,3,4-oxadiazole has a molecular weight of 274.28 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-(1-methyltriazol-4-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 167902734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).