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

C23H27N5O3 — CID 91924546

IUPAC3-(3,5-dimethylpyrazol-1-yl)-1-[2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]propan-1-one
SMILESCc1cc(C)n(CCC(=O)N2c3ccccc3CC2c2noc(C3CCOCC3)n2)n1
InChIInChI=1S/C23H27N5O3/c1-15-13-16(2)27(25-15)10-7-21(29)28-19-6-4-3-5-18(19)14-20(28)22-24-23(31-26-22)17-8-11-30-12-9-17/h3-6,13,17,20H,7-12,14H2,1-2H3
InChIKeyWSQMUIFZOKFSRX-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.50
Rot. Bonds5

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

3-(3,5-dimethylpyrazol-1-yl)-1-[2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]propan-1-one (PubChem CID 91924546) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-1-[2-[5-(oxan-4-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-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]propan-1-one
PubChem CID91924546
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-1-[2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]propan-1-one
SMILESCc1cc(C)n(CCC(=O)N2c3ccccc3CC2c2noc(C3CCOCC3)n2)n1
InChIInChI=1S/C23H27N5O3/c1-15-13-16(2)27(25-15)10-7-21(29)28-19-6-4-3-5-18(19)14-20(28)22-24-23(31-26-22)17-8-11-30-12-9-17/h3-6,13,17,20H,7-12,14H2,1-2H3
InChIKeyWSQMUIFZOKFSRX-UHFFFAOYSA-N
XLogP3.50
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(3,5-dimethylpyrazol-1-yl)-1-[2-[5-(oxan-4-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-(oxan-4-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-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]propan-1-one (CID 91924546) is 3-(3,5-dimethylpyrazol-1-yl)-1-[2-[5-(oxan-4-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-(oxan-4-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-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]propan-1-one is Cc1cc(C)n(CCC(=O)N2c3ccccc3CC2c2noc(C3CCOCC3)n2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-1-[2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]propan-1-one?
The InChIKey is WSQMUIFZOKFSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-15-13-16(2)27(25-15)10-7-21(29)28-19-6-4-3-5-18(19)14-20(28)22-24-23(31-26-22)17-8-11-30-12-9-17/h3-6,13,17,20H,7-12,14H2,1-2H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-1-[2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]propan-1-one?
3-(3,5-dimethylpyrazol-1-yl)-1-[2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]propan-1-one has a molecular weight of 421.50 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-1-[2-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]propan-1-one is sourced from PubChem (CID 91924546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).