5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-methylpiperazin-1-yl)-3-phenyl-1H-indol-2-one

C24H26N4O2 — CID 86280822

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-methylpiperazin-1-yl)-3-phenyl-1H-indol-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)(N1CCN(C)CC1)C(=O)N2
InChIInChI=1S/C24H26N4O2/c1-16-22(17(2)30-26-16)18-9-10-21-20(15-18)24(23(29)25-21,19-7-5-4-6-8-19)28-13-11-27(3)12-14-28/h4-10,15H,11-14H2,1-3H3,(H,25,29)
InChIKeyMEBQNBMIDAMYCF-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.40
Rot. Bonds3

About 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-methylpiperazin-1-yl)-3-phenyl-1H-indol-2-one

5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-methylpiperazin-1-yl)-3-phenyl-1H-indol-2-one (PubChem CID 86280822) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-methylpiperazin-1-yl)-3-phenyl-1H-indol-2-one.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-methylpiperazin-1-yl)-3-phenyl-1H-indol-2-one
PubChem CID86280822
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-methylpiperazin-1-yl)-3-phenyl-1H-indol-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)(N1CCN(C)CC1)C(=O)N2
InChIInChI=1S/C24H26N4O2/c1-16-22(17(2)30-26-16)18-9-10-21-20(15-18)24(23(29)25-21,19-7-5-4-6-8-19)28-13-11-27(3)12-14-28/h4-10,15H,11-14H2,1-3H3,(H,25,29)
InChIKeyMEBQNBMIDAMYCF-UHFFFAOYSA-N
XLogP3.40
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.40
H-Bond Donors ≤ 51
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-(4-methylpiperazin-1-yl)-3-phenyl-1H-indol-2-one?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-methylpiperazin-1-yl)-3-phenyl-1H-indol-2-one (CID 86280822) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-methylpiperazin-1-yl)-3-phenyl-1H-indol-2-one.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-methylpiperazin-1-yl)-3-phenyl-1H-indol-2-one?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-methylpiperazin-1-yl)-3-phenyl-1H-indol-2-one is Cc1noc(C)c1-c1ccc2c(c1)C(c1ccccc1)(N1CCN(C)CC1)C(=O)N2.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-methylpiperazin-1-yl)-3-phenyl-1H-indol-2-one?
The InChIKey is MEBQNBMIDAMYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-16-22(17(2)30-26-16)18-9-10-21-20(15-18)24(23(29)25-21,19-7-5-4-6-8-19)28-13-11-27(3)12-14-28/h4-10,15H,11-14H2,1-3H3,(H,25,29).
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-methylpiperazin-1-yl)-3-phenyl-1H-indol-2-one?
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-methylpiperazin-1-yl)-3-phenyl-1H-indol-2-one has a molecular weight of 402.50 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 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-(4-methylpiperazin-1-yl)-3-phenyl-1H-indol-2-one is sourced from PubChem (CID 86280822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).