3-cyclohexyl-3-[2-(dimethylamino)ethylamino]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-2-one

C23H32N4O2 — CID 86281108

IUPAC3-cyclohexyl-3-[2-(dimethylamino)ethylamino]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)C(NCCN(C)C)(C1CCCCC1)C(=O)N2
InChIInChI=1S/C23H32N4O2/c1-15-21(16(2)29-26-15)17-10-11-20-19(14-17)23(22(28)25-20,24-12-13-27(3)4)18-8-6-5-7-9-18/h10-11,14,18,24H,5-9,12-13H2,1-4H3,(H,25,28)
InChIKeyJBOCYFRPLUYGMT-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.84
Rot. Bonds6

About 3-cyclohexyl-3-[2-(dimethylamino)ethylamino]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-2-one

3-cyclohexyl-3-[2-(dimethylamino)ethylamino]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-2-one (PubChem CID 86281108) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 3-cyclohexyl-3-[2-(dimethylamino)ethylamino]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-2-one.

Molecular Properties

Compound Name3-cyclohexyl-3-[2-(dimethylamino)ethylamino]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-2-one
PubChem CID86281108
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name3-cyclohexyl-3-[2-(dimethylamino)ethylamino]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)C(NCCN(C)C)(C1CCCCC1)C(=O)N2
InChIInChI=1S/C23H32N4O2/c1-15-21(16(2)29-26-15)17-10-11-20-19(14-17)23(22(28)25-20,24-12-13-27(3)4)18-8-6-5-7-9-18/h10-11,14,18,24H,5-9,12-13H2,1-4H3,(H,25,28)
InChIKeyJBOCYFRPLUYGMT-UHFFFAOYSA-N
XLogP3.84
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-3-[2-(dimethylamino)ethylamino]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-2-one?
The IUPAC name of 3-cyclohexyl-3-[2-(dimethylamino)ethylamino]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-2-one (CID 86281108) is 3-cyclohexyl-3-[2-(dimethylamino)ethylamino]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-2-one.
What is the SMILES notation for 3-cyclohexyl-3-[2-(dimethylamino)ethylamino]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-2-one?
The canonical SMILES for 3-cyclohexyl-3-[2-(dimethylamino)ethylamino]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-2-one is Cc1noc(C)c1-c1ccc2c(c1)C(NCCN(C)C)(C1CCCCC1)C(=O)N2.
What is the InChIKey of 3-cyclohexyl-3-[2-(dimethylamino)ethylamino]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-2-one?
The InChIKey is JBOCYFRPLUYGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-15-21(16(2)29-26-15)17-10-11-20-19(14-17)23(22(28)25-20,24-12-13-27(3)4)18-8-6-5-7-9-18/h10-11,14,18,24H,5-9,12-13H2,1-4H3,(H,25,28).
What are the key properties of 3-cyclohexyl-3-[2-(dimethylamino)ethylamino]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-2-one?
3-cyclohexyl-3-[2-(dimethylamino)ethylamino]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-2-one has a molecular weight of 396.54 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-3-[2-(dimethylamino)ethylamino]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-2-one is sourced from PubChem (CID 86281108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).