3-tert-butyl-1,2,4-oxadiazole-5-carboxamide;ethane

C11H23N3O2 — CID 142291313

IUPAC3-tert-butyl-1,2,4-oxadiazole-5-carboxamide;ethane
SMILESCC.CC.CC(C)(C)c1noc(C(N)=O)n1
InChIInChI=1S/C7H11N3O2.2C2H6/c1-7(2,3)6-9-5(4(8)11)12-10-6;2*1-2/h1-3H3,(H2,8,11);2*1-2H3
InChIKeyOYTAMEBMRJCQMN-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.52
Rot. Bonds1

About 3-tert-butyl-1,2,4-oxadiazole-5-carboxamide;ethane

3-tert-butyl-1,2,4-oxadiazole-5-carboxamide;ethane (PubChem CID 142291313) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-tert-butyl-1,2,4-oxadiazole-5-carboxamide;ethane.

Molecular Properties

Compound Name3-tert-butyl-1,2,4-oxadiazole-5-carboxamide;ethane
PubChem CID142291313
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name3-tert-butyl-1,2,4-oxadiazole-5-carboxamide;ethane
SMILESCC.CC.CC(C)(C)c1noc(C(N)=O)n1
InChIInChI=1S/C7H11N3O2.2C2H6/c1-7(2,3)6-9-5(4(8)11)12-10-6;2*1-2/h1-3H3,(H2,8,11);2*1-2H3
InChIKeyOYTAMEBMRJCQMN-UHFFFAOYSA-N
XLogP2.52
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(trichloromethyl)-1,2,4-oxadiazole-5-carboxamide
CID 20522298
sodium;3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid;hydride
CID 175357428
3-tert-butyl-N-methoxy-1,2,4-oxadiazole-5-carboxamide
CID 58336893
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 2-methylpropanoate
CID 55553227
fluoro 3-(2-hydroxypropan-2-yl)-1,2,4-oxadiazole-5-carboxylate
CID 169164116
ethyl 3-(1-hydroxy-2-methylpropan-2-yl)-1,2,4-oxadiazole-5-carboxylate
CID 168885311
tert-butyl 4-(5-carbamoyl-1,2,4-oxadiazol-3-yl)benzoate
CID 10803353
3-[(2,3,3-trimethylbutanoylamino)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 70969869
3-(4-methyl-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazole-5-carboxamide
CID 16765258
(2R)-2-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide;hydrochloride
CID 119342865
3-[3-[[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]amino]-3-oxopropyl]sulfonyl-2-methylpropanamide
CID 22263572
(3-tert-butyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride
CID 46736960

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1,2,4-oxadiazole-5-carboxamide;ethane?
The IUPAC name of 3-tert-butyl-1,2,4-oxadiazole-5-carboxamide;ethane (CID 142291313) is 3-tert-butyl-1,2,4-oxadiazole-5-carboxamide;ethane.
What is the SMILES notation for 3-tert-butyl-1,2,4-oxadiazole-5-carboxamide;ethane?
The canonical SMILES for 3-tert-butyl-1,2,4-oxadiazole-5-carboxamide;ethane is CC.CC.CC(C)(C)c1noc(C(N)=O)n1.
What is the InChIKey of 3-tert-butyl-1,2,4-oxadiazole-5-carboxamide;ethane?
The InChIKey is OYTAMEBMRJCQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2.2C2H6/c1-7(2,3)6-9-5(4(8)11)12-10-6;2*1-2/h1-3H3,(H2,8,11);2*1-2H3.
What are the key properties of 3-tert-butyl-1,2,4-oxadiazole-5-carboxamide;ethane?
3-tert-butyl-1,2,4-oxadiazole-5-carboxamide;ethane has a molecular weight of 229.32 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1,2,4-oxadiazole-5-carboxamide;ethane is sourced from PubChem (CID 142291313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).