5-tert-butyl-N-[1-(2-methylpyrazol-3-yl)propyl]-1,3,4-oxadiazol-2-amine

C13H21N5O — CID 72847219

IUPAC5-tert-butyl-N-[1-(2-methylpyrazol-3-yl)propyl]-1,3,4-oxadiazol-2-amine
SMILESCCC(Nc1nnc(C(C)(C)C)o1)c1ccnn1C
InChIInChI=1S/C13H21N5O/c1-6-9(10-7-8-14-18(10)5)15-12-17-16-11(19-12)13(2,3)4/h7-9H,6H2,1-5H3,(H,15,17)
InChIKeySEGODVILWODGSI-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.66
Rot. Bonds4

About 5-tert-butyl-N-[1-(2-methylpyrazol-3-yl)propyl]-1,3,4-oxadiazol-2-amine

5-tert-butyl-N-[1-(2-methylpyrazol-3-yl)propyl]-1,3,4-oxadiazol-2-amine (PubChem CID 72847219) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-tert-butyl-N-[1-(2-methylpyrazol-3-yl)propyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-tert-butyl-N-[1-(2-methylpyrazol-3-yl)propyl]-1,3,4-oxadiazol-2-amine
PubChem CID72847219
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name5-tert-butyl-N-[1-(2-methylpyrazol-3-yl)propyl]-1,3,4-oxadiazol-2-amine
SMILESCCC(Nc1nnc(C(C)(C)C)o1)c1ccnn1C
InChIInChI=1S/C13H21N5O/c1-6-9(10-7-8-14-18(10)5)15-12-17-16-11(19-12)13(2,3)4/h7-9H,6H2,1-5H3,(H,15,17)
InChIKeySEGODVILWODGSI-UHFFFAOYSA-N
XLogP2.66
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.66
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-(2-methylpyrazol-3-yl)propyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-tert-butyl-N-[1-(2-methylpyrazol-3-yl)propyl]-1,3,4-oxadiazol-2-amine (CID 72847219) is 5-tert-butyl-N-[1-(2-methylpyrazol-3-yl)propyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-tert-butyl-N-[1-(2-methylpyrazol-3-yl)propyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-tert-butyl-N-[1-(2-methylpyrazol-3-yl)propyl]-1,3,4-oxadiazol-2-amine is CCC(Nc1nnc(C(C)(C)C)o1)c1ccnn1C.
What is the InChIKey of 5-tert-butyl-N-[1-(2-methylpyrazol-3-yl)propyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is SEGODVILWODGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-6-9(10-7-8-14-18(10)5)15-12-17-16-11(19-12)13(2,3)4/h7-9H,6H2,1-5H3,(H,15,17).
What are the key properties of 5-tert-butyl-N-[1-(2-methylpyrazol-3-yl)propyl]-1,3,4-oxadiazol-2-amine?
5-tert-butyl-N-[1-(2-methylpyrazol-3-yl)propyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 263.34 g/mol, XLogP of 2.66, 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-(2-methylpyrazol-3-yl)propyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 72847219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).