3-(3-tert-butyl-1,2-oxazol-5-yl)-5-methyl-1,2,4-oxadiazole;ethane

C12H19N3O2 — CID 143894503

IUPAC3-(3-tert-butyl-1,2-oxazol-5-yl)-5-methyl-1,2,4-oxadiazole;ethane
SMILESCC.Cc1nc(-c2cc(C(C)(C)C)no2)no1
InChIInChI=1S/C10H13N3O2.C2H6/c1-6-11-9(13-14-6)7-5-8(12-15-7)10(2,3)4;1-2/h5H,1-4H3;1-2H3
InChIKeyFOLSDXUTNHOXAH-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.36
Rot. Bonds1

About 3-(3-tert-butyl-1,2-oxazol-5-yl)-5-methyl-1,2,4-oxadiazole;ethane

3-(3-tert-butyl-1,2-oxazol-5-yl)-5-methyl-1,2,4-oxadiazole;ethane (PubChem CID 143894503) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-(3-tert-butyl-1,2-oxazol-5-yl)-5-methyl-1,2,4-oxadiazole;ethane.

Molecular Properties

Compound Name3-(3-tert-butyl-1,2-oxazol-5-yl)-5-methyl-1,2,4-oxadiazole;ethane
PubChem CID143894503
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-(3-tert-butyl-1,2-oxazol-5-yl)-5-methyl-1,2,4-oxadiazole;ethane
SMILESCC.Cc1nc(-c2cc(C(C)(C)C)no2)no1
InChIInChI=1S/C10H13N3O2.C2H6/c1-6-11-9(13-14-6)7-5-8(12-15-7)10(2,3)4;1-2/h5H,1-4H3;1-2H3
InChIKeyFOLSDXUTNHOXAH-UHFFFAOYSA-N
XLogP3.36
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-1,2-oxazol-5-yl)-5-methyl-1,2,4-oxadiazole;ethane?
The IUPAC name of 3-(3-tert-butyl-1,2-oxazol-5-yl)-5-methyl-1,2,4-oxadiazole;ethane (CID 143894503) is 3-(3-tert-butyl-1,2-oxazol-5-yl)-5-methyl-1,2,4-oxadiazole;ethane.
What is the SMILES notation for 3-(3-tert-butyl-1,2-oxazol-5-yl)-5-methyl-1,2,4-oxadiazole;ethane?
The canonical SMILES for 3-(3-tert-butyl-1,2-oxazol-5-yl)-5-methyl-1,2,4-oxadiazole;ethane is CC.Cc1nc(-c2cc(C(C)(C)C)no2)no1.
What is the InChIKey of 3-(3-tert-butyl-1,2-oxazol-5-yl)-5-methyl-1,2,4-oxadiazole;ethane?
The InChIKey is FOLSDXUTNHOXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2.C2H6/c1-6-11-9(13-14-6)7-5-8(12-15-7)10(2,3)4;1-2/h5H,1-4H3;1-2H3.
What are the key properties of 3-(3-tert-butyl-1,2-oxazol-5-yl)-5-methyl-1,2,4-oxadiazole;ethane?
3-(3-tert-butyl-1,2-oxazol-5-yl)-5-methyl-1,2,4-oxadiazole;ethane has a molecular weight of 237.30 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-1,2-oxazol-5-yl)-5-methyl-1,2,4-oxadiazole;ethane is sourced from PubChem (CID 143894503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).