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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Related Compounds

CID 51104555
CID 51104555
CID 51104611
CID 51104611
CID 51104621
CID 51104621
CID 51104631
CID 51104631
CID 51104632
CID 51104632
CID 51104633
CID 51104633
CID 51104634
CID 51104634
CID 56881700
CID 56881700
CID 46982691
CID 46982691
CID 46998686
CID 46998686
CID 50984018
CID 50984018
CID 75514064
CID 75514064

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).