5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(3S)-3-hydroxypiperidin-1-yl]-3-phenyl-1H-indol-2-one

C24H25N3O3 — CID 86280824

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(3S)-3-hydroxypiperidin-1-yl]-3-phenyl-1H-indol-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)(N1CCC[C@H](O)C1)C(=O)N2
InChIInChI=1S/C24H25N3O3/c1-15-22(16(2)30-26-15)17-10-11-21-20(13-17)24(23(29)25-21,18-7-4-3-5-8-18)27-12-6-9-19(28)14-27/h3-5,7-8,10-11,13,19,28H,6,9,12,14H2,1-2H3,(H,25,29)/t19-,24?/m0/s1
InChIKeyUXFXOEGGFKVCDW-XGLRFROISA-N
MW403.48 g/mol
LogP3.61
Rot. Bonds3

About 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(3S)-3-hydroxypiperidin-1-yl]-3-phenyl-1H-indol-2-one

5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(3S)-3-hydroxypiperidin-1-yl]-3-phenyl-1H-indol-2-one (PubChem CID 86280824) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(3S)-3-hydroxypiperidin-1-yl]-3-phenyl-1H-indol-2-one.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(3S)-3-hydroxypiperidin-1-yl]-3-phenyl-1H-indol-2-one
PubChem CID86280824
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(3S)-3-hydroxypiperidin-1-yl]-3-phenyl-1H-indol-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)(N1CCC[C@H](O)C1)C(=O)N2
InChIInChI=1S/C24H25N3O3/c1-15-22(16(2)30-26-15)17-10-11-21-20(13-17)24(23(29)25-21,18-7-4-3-5-8-18)27-12-6-9-19(28)14-27/h3-5,7-8,10-11,13,19,28H,6,9,12,14H2,1-2H3,(H,25,29)/t19-,24?/m0/s1
InChIKeyUXFXOEGGFKVCDW-XGLRFROISA-N
XLogP3.61
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(3S)-3-hydroxypiperidin-1-yl]-3-phenyl-1H-indol-2-one?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(3S)-3-hydroxypiperidin-1-yl]-3-phenyl-1H-indol-2-one (CID 86280824) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(3S)-3-hydroxypiperidin-1-yl]-3-phenyl-1H-indol-2-one.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(3S)-3-hydroxypiperidin-1-yl]-3-phenyl-1H-indol-2-one?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(3S)-3-hydroxypiperidin-1-yl]-3-phenyl-1H-indol-2-one is Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)(N1CCC[C@H](O)C1)C(=O)N2.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(3S)-3-hydroxypiperidin-1-yl]-3-phenyl-1H-indol-2-one?
The InChIKey is UXFXOEGGFKVCDW-XGLRFROISA-N. The full InChI is InChI=1S/C24H25N3O3/c1-15-22(16(2)30-26-15)17-10-11-21-20(13-17)24(23(29)25-21,18-7-4-3-5-8-18)27-12-6-9-19(28)14-27/h3-5,7-8,10-11,13,19,28H,6,9,12,14H2,1-2H3,(H,25,29)/t19-,24?/m0/s1.
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(3S)-3-hydroxypiperidin-1-yl]-3-phenyl-1H-indol-2-one?
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(3S)-3-hydroxypiperidin-1-yl]-3-phenyl-1H-indol-2-one has a molecular weight of 403.48 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(3S)-3-hydroxypiperidin-1-yl]-3-phenyl-1H-indol-2-one is sourced from PubChem (CID 86280824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).