5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole

C11H13N3O3 — CID 72861127

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
SMILESCc1noc(C)c1-c1nc(C2CCOC2)no1
InChIInChI=1S/C11H13N3O3/c1-6-9(7(2)16-13-6)11-12-10(14-17-11)8-3-4-15-5-8/h8H,3-5H2,1-2H3
InChIKeyUDZNNYVPPICUHH-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.85
Rot. Bonds2

About 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole

5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole (PubChem CID 72861127) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
PubChem CID72861127
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
SMILESCc1noc(C)c1-c1nc(C2CCOC2)no1
InChIInChI=1S/C11H13N3O3/c1-6-9(7(2)16-13-6)11-12-10(14-17-11)8-3-4-15-5-8/h8H,3-5H2,1-2H3
InChIKeyUDZNNYVPPICUHH-UHFFFAOYSA-N
XLogP1.85
TPSA74.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3S)-oxolan-3-yl]-5-(2,4,6-trimethylphenyl)-1,2,4-oxadiazole
CID 97436766
5-(2-chloro-6-methylphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72877745
5-(2,6-dichlorophenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72866103
3-(oxolan-3-yl)-5-(2,4,5-trimethylphenyl)-1,2,4-oxadiazole
CID 72939607
5-(2,6-difluoro-4-methoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72918816
3,6-dimethyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-[1,2]oxazolo[5,4-b]pyridine
CID 97445273
5-(5-methylpyrazin-2-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72916447
5-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97453309
5-(5-fluoro-2-methylphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72916243
N,N,4-trimethyl-5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyrimidin-2-amine
CID 72904330
5-(4-methoxy-3,5-dimethylphenyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97436599
4-methyl-2-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenol
CID 136678833

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole (CID 72861127) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole is Cc1noc(C)c1-c1nc(C2CCOC2)no1.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The InChIKey is UDZNNYVPPICUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-6-9(7(2)16-13-6)11-12-10(14-17-11)8-3-4-15-5-8/h8H,3-5H2,1-2H3.
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole?
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole has a molecular weight of 235.24 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 72861127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).