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

C10H13N3O2 — CID 2745190

IUPAC5-tert-butyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazole
SMILESCc1cc(-c2noc(C(C)(C)C)n2)no1
InChIInChI=1S/C10H13N3O2/c1-6-5-7(12-14-6)8-11-9(15-13-8)10(2,3)4/h5H,1-4H3
InChIKeyQUSCPBCBQQAVCE-UHFFFAOYSA-N
MW207.23 g/mol
LogP2.33
Rot. Bonds1

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

5-tert-butyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazole (PubChem CID 2745190) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 5-tert-butyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-tert-butyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazole
PubChem CID2745190
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name5-tert-butyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazole
SMILESCc1cc(-c2noc(C(C)(C)C)n2)no1
InChIInChI=1S/C10H13N3O2/c1-6-5-7(12-14-6)8-11-9(15-13-8)10(2,3)4/h5H,1-4H3
InChIKeyQUSCPBCBQQAVCE-UHFFFAOYSA-N
XLogP2.33
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-tert-butyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazole (CID 2745190) is 5-tert-butyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-tert-butyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-tert-butyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazole is Cc1cc(-c2noc(C(C)(C)C)n2)no1.
What is the InChIKey of 5-tert-butyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazole?
The InChIKey is QUSCPBCBQQAVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-6-5-7(12-14-6)8-11-9(15-13-8)10(2,3)4/h5H,1-4H3.
What are the key properties of 5-tert-butyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazole?
5-tert-butyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazole has a molecular weight of 207.23 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 2745190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).