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

C21H24N6O — CID 95123045

IUPAC3-methyl-5-[(1S)-1-[4-phenyl-5-(1-propan-2-ylpyrazol-4-yl)imidazol-1-yl]propyl]-1,2,4-oxadiazole
SMILESCC[C@@H](c1nc(C)no1)n1cnc(-c2ccccc2)c1-c1cnn(C(C)C)c1
InChIInChI=1S/C21H24N6O/c1-5-18(21-24-15(4)25-28-21)26-13-22-19(16-9-7-6-8-10-16)20(26)17-11-23-27(12-17)14(2)3/h6-14,18H,5H2,1-4H3/t18-/m0/s1
InChIKeyRJQSADOJZHJUIR-SFHVURJKSA-N
MW376.46 g/mol
LogP4.69
Rot. Bonds6

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

3-methyl-5-[(1S)-1-[4-phenyl-5-(1-propan-2-ylpyrazol-4-yl)imidazol-1-yl]propyl]-1,2,4-oxadiazole (PubChem CID 95123045) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-methyl-5-[(1S)-1-[4-phenyl-5-(1-propan-2-ylpyrazol-4-yl)imidazol-1-yl]propyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[(1S)-1-[4-phenyl-5-(1-propan-2-ylpyrazol-4-yl)imidazol-1-yl]propyl]-1,2,4-oxadiazole
PubChem CID95123045
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name3-methyl-5-[(1S)-1-[4-phenyl-5-(1-propan-2-ylpyrazol-4-yl)imidazol-1-yl]propyl]-1,2,4-oxadiazole
SMILESCC[C@@H](c1nc(C)no1)n1cnc(-c2ccccc2)c1-c1cnn(C(C)C)c1
InChIInChI=1S/C21H24N6O/c1-5-18(21-24-15(4)25-28-21)26-13-22-19(16-9-7-6-8-10-16)20(26)17-11-23-27(12-17)14(2)3/h6-14,18H,5H2,1-4H3/t18-/m0/s1
InChIKeyRJQSADOJZHJUIR-SFHVURJKSA-N
XLogP4.69
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(1S)-1-[4-phenyl-5-(1-propan-2-ylpyrazol-4-yl)imidazol-1-yl]propyl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[(1S)-1-[4-phenyl-5-(1-propan-2-ylpyrazol-4-yl)imidazol-1-yl]propyl]-1,2,4-oxadiazole (CID 95123045) is 3-methyl-5-[(1S)-1-[4-phenyl-5-(1-propan-2-ylpyrazol-4-yl)imidazol-1-yl]propyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[(1S)-1-[4-phenyl-5-(1-propan-2-ylpyrazol-4-yl)imidazol-1-yl]propyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[(1S)-1-[4-phenyl-5-(1-propan-2-ylpyrazol-4-yl)imidazol-1-yl]propyl]-1,2,4-oxadiazole is CC[C@@H](c1nc(C)no1)n1cnc(-c2ccccc2)c1-c1cnn(C(C)C)c1.
What is the InChIKey of 3-methyl-5-[(1S)-1-[4-phenyl-5-(1-propan-2-ylpyrazol-4-yl)imidazol-1-yl]propyl]-1,2,4-oxadiazole?
The InChIKey is RJQSADOJZHJUIR-SFHVURJKSA-N. The full InChI is InChI=1S/C21H24N6O/c1-5-18(21-24-15(4)25-28-21)26-13-22-19(16-9-7-6-8-10-16)20(26)17-11-23-27(12-17)14(2)3/h6-14,18H,5H2,1-4H3/t18-/m0/s1.
What are the key properties of 3-methyl-5-[(1S)-1-[4-phenyl-5-(1-propan-2-ylpyrazol-4-yl)imidazol-1-yl]propyl]-1,2,4-oxadiazole?
3-methyl-5-[(1S)-1-[4-phenyl-5-(1-propan-2-ylpyrazol-4-yl)imidazol-1-yl]propyl]-1,2,4-oxadiazole has a molecular weight of 376.46 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(1S)-1-[4-phenyl-5-(1-propan-2-ylpyrazol-4-yl)imidazol-1-yl]propyl]-1,2,4-oxadiazole is sourced from PubChem (CID 95123045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).