5-propan-2-yl-3-[(3-propan-2-ylpyrazol-1-yl)methyl]-1,2,4-oxadiazole

C12H18N4O — CID 71909757

IUPAC5-propan-2-yl-3-[(3-propan-2-ylpyrazol-1-yl)methyl]-1,2,4-oxadiazole
SMILESCC(C)c1ccn(Cc2noc(C(C)C)n2)n1
InChIInChI=1S/C12H18N4O/c1-8(2)10-5-6-16(14-10)7-11-13-12(9(3)4)17-15-11/h5-6,8-9H,7H2,1-4H3
InChIKeyWKGZHNUILIGMRM-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.56
Rot. Bonds4

About 5-propan-2-yl-3-[(3-propan-2-ylpyrazol-1-yl)methyl]-1,2,4-oxadiazole

5-propan-2-yl-3-[(3-propan-2-ylpyrazol-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 71909757) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 5-propan-2-yl-3-[(3-propan-2-ylpyrazol-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-propan-2-yl-3-[(3-propan-2-ylpyrazol-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID71909757
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name5-propan-2-yl-3-[(3-propan-2-ylpyrazol-1-yl)methyl]-1,2,4-oxadiazole
SMILESCC(C)c1ccn(Cc2noc(C(C)C)n2)n1
InChIInChI=1S/C12H18N4O/c1-8(2)10-5-6-16(14-10)7-11-13-12(9(3)4)17-15-11/h5-6,8-9H,7H2,1-4H3
InChIKeyWKGZHNUILIGMRM-UHFFFAOYSA-N
XLogP2.56
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-3-[(3-propan-2-ylpyrazol-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-propan-2-yl-3-[(3-propan-2-ylpyrazol-1-yl)methyl]-1,2,4-oxadiazole (CID 71909757) is 5-propan-2-yl-3-[(3-propan-2-ylpyrazol-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-propan-2-yl-3-[(3-propan-2-ylpyrazol-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-propan-2-yl-3-[(3-propan-2-ylpyrazol-1-yl)methyl]-1,2,4-oxadiazole is CC(C)c1ccn(Cc2noc(C(C)C)n2)n1.
What is the InChIKey of 5-propan-2-yl-3-[(3-propan-2-ylpyrazol-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is WKGZHNUILIGMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-8(2)10-5-6-16(14-10)7-11-13-12(9(3)4)17-15-11/h5-6,8-9H,7H2,1-4H3.
What are the key properties of 5-propan-2-yl-3-[(3-propan-2-ylpyrazol-1-yl)methyl]-1,2,4-oxadiazole?
5-propan-2-yl-3-[(3-propan-2-ylpyrazol-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 234.30 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-3-[(3-propan-2-ylpyrazol-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 71909757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).