3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methylbutylamino)-1H-indol-2-one

C24H33N3O2 — CID 86281104

IUPAC3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methylbutylamino)-1H-indol-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)C(NCCC(C)C)(C1CCCCC1)C(=O)N2
InChIInChI=1S/C24H33N3O2/c1-15(2)12-13-25-24(19-8-6-5-7-9-19)20-14-18(10-11-21(20)26-23(24)28)22-16(3)27-29-17(22)4/h10-11,14-15,19,25H,5-9,12-13H2,1-4H3,(H,26,28)
InChIKeyXNIKBYRNDOINQP-UHFFFAOYSA-N
MW395.55 g/mol
LogP5.32
Rot. Bonds6

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

3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methylbutylamino)-1H-indol-2-one (PubChem CID 86281104) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methylbutylamino)-1H-indol-2-one.

Molecular Properties

Compound Name3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methylbutylamino)-1H-indol-2-one
PubChem CID86281104
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methylbutylamino)-1H-indol-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)C(NCCC(C)C)(C1CCCCC1)C(=O)N2
InChIInChI=1S/C24H33N3O2/c1-15(2)12-13-25-24(19-8-6-5-7-9-19)20-14-18(10-11-21(20)26-23(24)28)22-16(3)27-29-17(22)4/h10-11,14-15,19,25H,5-9,12-13H2,1-4H3,(H,26,28)
InChIKeyXNIKBYRNDOINQP-UHFFFAOYSA-N
XLogP5.32
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.55
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methylbutylamino)-1H-indol-2-one?
The IUPAC name of 3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methylbutylamino)-1H-indol-2-one (CID 86281104) is 3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methylbutylamino)-1H-indol-2-one.
What is the SMILES notation for 3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methylbutylamino)-1H-indol-2-one?
The canonical SMILES for 3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methylbutylamino)-1H-indol-2-one is Cc1noc(C)c1-c1ccc2c(c1)C(NCCC(C)C)(C1CCCCC1)C(=O)N2.
What is the InChIKey of 3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methylbutylamino)-1H-indol-2-one?
The InChIKey is XNIKBYRNDOINQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-15(2)12-13-25-24(19-8-6-5-7-9-19)20-14-18(10-11-21(20)26-23(24)28)22-16(3)27-29-17(22)4/h10-11,14-15,19,25H,5-9,12-13H2,1-4H3,(H,26,28).
What are the key properties of 3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methylbutylamino)-1H-indol-2-one?
3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methylbutylamino)-1H-indol-2-one has a molecular weight of 395.55 g/mol, XLogP of 5.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methylbutylamino)-1H-indol-2-one is sourced from PubChem (CID 86281104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).