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

C12H15N3O3 — CID 154807280

IUPAC2-(2,4-dimethyl-1,3-oxazol-5-yl)-5-(oxan-3-yl)-1,3,4-oxadiazole
SMILESCc1nc(C)c(-c2nnc(C3CCCOC3)o2)o1
InChIInChI=1S/C12H15N3O3/c1-7-10(17-8(2)13-7)12-15-14-11(18-12)9-4-3-5-16-6-9/h9H,3-6H2,1-2H3
InChIKeyVAQKKZBTEAIXPQ-UHFFFAOYSA-N
MW249.27 g/mol
LogP2.24
Rot. Bonds2

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

2-(2,4-dimethyl-1,3-oxazol-5-yl)-5-(oxan-3-yl)-1,3,4-oxadiazole (PubChem CID 154807280) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-(2,4-dimethyl-1,3-oxazol-5-yl)-5-(oxan-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2,4-dimethyl-1,3-oxazol-5-yl)-5-(oxan-3-yl)-1,3,4-oxadiazole
PubChem CID154807280
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name2-(2,4-dimethyl-1,3-oxazol-5-yl)-5-(oxan-3-yl)-1,3,4-oxadiazole
SMILESCc1nc(C)c(-c2nnc(C3CCCOC3)o2)o1
InChIInChI=1S/C12H15N3O3/c1-7-10(17-8(2)13-7)12-15-14-11(18-12)9-4-3-5-16-6-9/h9H,3-6H2,1-2H3
InChIKeyVAQKKZBTEAIXPQ-UHFFFAOYSA-N
XLogP2.24
TPSA74.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-1,3-oxazol-5-yl)-5-(oxan-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2,4-dimethyl-1,3-oxazol-5-yl)-5-(oxan-3-yl)-1,3,4-oxadiazole (CID 154807280) is 2-(2,4-dimethyl-1,3-oxazol-5-yl)-5-(oxan-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2,4-dimethyl-1,3-oxazol-5-yl)-5-(oxan-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2,4-dimethyl-1,3-oxazol-5-yl)-5-(oxan-3-yl)-1,3,4-oxadiazole is Cc1nc(C)c(-c2nnc(C3CCCOC3)o2)o1.
What is the InChIKey of 2-(2,4-dimethyl-1,3-oxazol-5-yl)-5-(oxan-3-yl)-1,3,4-oxadiazole?
The InChIKey is VAQKKZBTEAIXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-7-10(17-8(2)13-7)12-15-14-11(18-12)9-4-3-5-16-6-9/h9H,3-6H2,1-2H3.
What are the key properties of 2-(2,4-dimethyl-1,3-oxazol-5-yl)-5-(oxan-3-yl)-1,3,4-oxadiazole?
2-(2,4-dimethyl-1,3-oxazol-5-yl)-5-(oxan-3-yl)-1,3,4-oxadiazole has a molecular weight of 249.27 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-1,3-oxazol-5-yl)-5-(oxan-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 154807280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).