5-cyclobutyl-N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,3,4-oxadiazol-2-amine

C13H19N5O2 — CID 97188149

IUPAC5-cyclobutyl-N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCOC[C@@H](Nc1nnc(C2CCC2)o1)c1ccnn1C
InChIInChI=1S/C13H19N5O2/c1-18-11(6-7-14-18)10(8-19-2)15-13-17-16-12(20-13)9-4-3-5-9/h6-7,9-10H,3-5,8H2,1-2H3,(H,15,17)/t10-/m1/s1
InChIKeyCWDWWERXGQFXCM-SNVBAGLBSA-N
MW277.33 g/mol
LogP1.87
Rot. Bonds6

About 5-cyclobutyl-N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,3,4-oxadiazol-2-amine

5-cyclobutyl-N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 97188149) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 5-cyclobutyl-N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-cyclobutyl-N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID97188149
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name5-cyclobutyl-N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCOC[C@@H](Nc1nnc(C2CCC2)o1)c1ccnn1C
InChIInChI=1S/C13H19N5O2/c1-18-11(6-7-14-18)10(8-19-2)15-13-17-16-12(20-13)9-4-3-5-9/h6-7,9-10H,3-5,8H2,1-2H3,(H,15,17)/t10-/m1/s1
InChIKeyCWDWWERXGQFXCM-SNVBAGLBSA-N
XLogP1.87
TPSA78.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-cyclobutyl-N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,3,4-oxadiazol-2-amine (CID 97188149) is 5-cyclobutyl-N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-cyclobutyl-N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-cyclobutyl-N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,3,4-oxadiazol-2-amine is COC[C@@H](Nc1nnc(C2CCC2)o1)c1ccnn1C.
What is the InChIKey of 5-cyclobutyl-N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is CWDWWERXGQFXCM-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-18-11(6-7-14-18)10(8-19-2)15-13-17-16-12(20-13)9-4-3-5-9/h6-7,9-10H,3-5,8H2,1-2H3,(H,15,17)/t10-/m1/s1.
What are the key properties of 5-cyclobutyl-N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,3,4-oxadiazol-2-amine?
5-cyclobutyl-N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 277.33 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 97188149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).