1-[[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine

C15H17N5O — CID 63085525

IUPAC1-[[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
SMILESCC(C)(c1ccccc1)c1noc(Cn2cc(N)cn2)n1
InChIInChI=1S/C15H17N5O/c1-15(2,11-6-4-3-5-7-11)14-18-13(21-19-14)10-20-9-12(16)8-17-20/h3-9H,10,16H2,1-2H3
InChIKeyUWAXBQFJAAGGHT-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.22
Rot. Bonds4

About 1-[[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine

1-[[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine (PubChem CID 63085525) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is 1-[[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
PubChem CID63085525
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name1-[[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
SMILESCC(C)(c1ccccc1)c1noc(Cn2cc(N)cn2)n1
InChIInChI=1S/C15H17N5O/c1-15(2,11-6-4-3-5-7-11)14-18-13(21-19-14)10-20-9-12(16)8-17-20/h3-9H,10,16H2,1-2H3
InChIKeyUWAXBQFJAAGGHT-UHFFFAOYSA-N
XLogP2.22
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine?
The IUPAC name of 1-[[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine (CID 63085525) is 1-[[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine.
What is the SMILES notation for 1-[[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine?
The canonical SMILES for 1-[[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine is CC(C)(c1ccccc1)c1noc(Cn2cc(N)cn2)n1.
What is the InChIKey of 1-[[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine?
The InChIKey is UWAXBQFJAAGGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-15(2,11-6-4-3-5-7-11)14-18-13(21-19-14)10-20-9-12(16)8-17-20/h3-9H,10,16H2,1-2H3.
What are the key properties of 1-[[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine?
1-[[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine has a molecular weight of 283.34 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine is sourced from PubChem (CID 63085525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).