5-tert-butyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine

C14H23N5O — CID 86790632

IUPAC5-tert-butyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCCn1nc(C)c(CNc2nnc(C(C)(C)C)o2)c1C
InChIInChI=1S/C14H23N5O/c1-7-19-10(3)11(9(2)18-19)8-15-13-17-16-12(20-13)14(4,5)6/h7-8H2,1-6H3,(H,15,17)
InChIKeyJIEBQIOUMMIENV-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.81
Rot. Bonds4

About 5-tert-butyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine

5-tert-butyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 86790632) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 5-tert-butyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-tert-butyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID86790632
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name5-tert-butyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCCn1nc(C)c(CNc2nnc(C(C)(C)C)o2)c1C
InChIInChI=1S/C14H23N5O/c1-7-19-10(3)11(9(2)18-19)8-15-13-17-16-12(20-13)14(4,5)6/h7-8H2,1-6H3,(H,15,17)
InChIKeyJIEBQIOUMMIENV-UHFFFAOYSA-N
XLogP2.81
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-tert-butyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine (CID 86790632) is 5-tert-butyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-tert-butyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-tert-butyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine is CCn1nc(C)c(CNc2nnc(C(C)(C)C)o2)c1C.
What is the InChIKey of 5-tert-butyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is JIEBQIOUMMIENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-7-19-10(3)11(9(2)18-19)8-15-13-17-16-12(20-13)14(4,5)6/h7-8H2,1-6H3,(H,15,17).
What are the key properties of 5-tert-butyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine?
5-tert-butyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 277.37 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 86790632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).