1-propan-2-yloxy-2-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine

C11H17N5O2 — CID 136964381

IUPAC1-propan-2-yloxy-2-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCC(C)OCC(C)(N)c1noc(-c2cn[nH]c2)n1
InChIInChI=1S/C11H17N5O2/c1-7(2)17-6-11(3,12)10-15-9(18-16-10)8-4-13-14-5-8/h4-5,7H,6,12H2,1-3H3,(H,13,14)
InChIKeyLNRQFYLIAWPCAL-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.06
Rot. Bonds5

About 1-propan-2-yloxy-2-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine

1-propan-2-yloxy-2-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 136964381) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-propan-2-yloxy-2-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-propan-2-yloxy-2-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID136964381
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name1-propan-2-yloxy-2-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCC(C)OCC(C)(N)c1noc(-c2cn[nH]c2)n1
InChIInChI=1S/C11H17N5O2/c1-7(2)17-6-11(3,12)10-15-9(18-16-10)8-4-13-14-5-8/h4-5,7H,6,12H2,1-3H3,(H,13,14)
InChIKeyLNRQFYLIAWPCAL-UHFFFAOYSA-N
XLogP1.06
TPSA102.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 104637159
2-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 104637351
2-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 104637323
2-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 104637248
2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-propan-2-yloxypropan-2-amine
CID 104637170
2-[5-(2,5-dimethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 104637349
2-[5-(3-bromo-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 104637401
2-[5-(4-bromo-2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 104637389
2-[5-(2-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 104637304
2-[5-(3-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 113435718
2-[5-(2-chloro-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 104637405
2-(5-pentan-3-yl-1,2,4-oxadiazol-3-yl)-1-propan-2-yloxypropan-2-amine
CID 104637345

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yloxy-2-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of 1-propan-2-yloxy-2-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 136964381) is 1-propan-2-yloxy-2-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for 1-propan-2-yloxy-2-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for 1-propan-2-yloxy-2-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine is CC(C)OCC(C)(N)c1noc(-c2cn[nH]c2)n1.
What is the InChIKey of 1-propan-2-yloxy-2-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is LNRQFYLIAWPCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-7(2)17-6-11(3,12)10-15-9(18-16-10)8-4-13-14-5-8/h4-5,7H,6,12H2,1-3H3,(H,13,14).
What are the key properties of 1-propan-2-yloxy-2-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
1-propan-2-yloxy-2-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 251.29 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxy-2-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 136964381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).