3-(3,5-dimethylpyrazol-1-yl)-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]propan-1-one

C21H25N5O2 — CID 91924529

IUPAC3-(3,5-dimethylpyrazol-1-yl)-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]propan-1-one
SMILESCc1cc(C)n(CCC(=O)N2c3ccccc3CC2c2noc(C(C)C)n2)n1
InChIInChI=1S/C21H25N5O2/c1-13(2)21-22-20(24-28-21)18-12-16-7-5-6-8-17(16)26(18)19(27)9-10-25-15(4)11-14(3)23-25/h5-8,11,13,18H,9-10,12H2,1-4H3
InChIKeyIKURZJYMCKJDKJ-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.73
Rot. Bonds5

About 3-(3,5-dimethylpyrazol-1-yl)-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]propan-1-one

3-(3,5-dimethylpyrazol-1-yl)-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]propan-1-one (PubChem CID 91924529) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]propan-1-one
PubChem CID91924529
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]propan-1-one
SMILESCc1cc(C)n(CCC(=O)N2c3ccccc3CC2c2noc(C(C)C)n2)n1
InChIInChI=1S/C21H25N5O2/c1-13(2)21-22-20(24-28-21)18-12-16-7-5-6-8-17(16)26(18)19(27)9-10-25-15(4)11-14(3)23-25/h5-8,11,13,18H,9-10,12H2,1-4H3
InChIKeyIKURZJYMCKJDKJ-UHFFFAOYSA-N
XLogP3.73
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(3,5-dimethylpyrazol-1-yl)-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]propan-1-one?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]propan-1-one (CID 91924529) is 3-(3,5-dimethylpyrazol-1-yl)-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]propan-1-one.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]propan-1-one?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]propan-1-one is Cc1cc(C)n(CCC(=O)N2c3ccccc3CC2c2noc(C(C)C)n2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]propan-1-one?
The InChIKey is IKURZJYMCKJDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-13(2)21-22-20(24-28-21)18-12-16-7-5-6-8-17(16)26(18)19(27)9-10-25-15(4)11-14(3)23-25/h5-8,11,13,18H,9-10,12H2,1-4H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]propan-1-one?
3-(3,5-dimethylpyrazol-1-yl)-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]propan-1-one has a molecular weight of 379.46 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]propan-1-one is sourced from PubChem (CID 91924529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).