3-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-hydroxyethylamino)-1H-indol-2-one

C20H25N3O3 — CID 86281375

IUPAC3-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-hydroxyethylamino)-1H-indol-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)C(NCCO)(C1CCCC1)C(=O)N2
InChIInChI=1S/C20H25N3O3/c1-12-18(13(2)26-23-12)14-7-8-17-16(11-14)20(19(25)22-17,21-9-10-24)15-5-3-4-6-15/h7-8,11,15,21,24H,3-6,9-10H2,1-2H3,(H,22,25)
InChIKeyFNDNIJJWRCWPOB-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.88
Rot. Bonds5

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

3-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-hydroxyethylamino)-1H-indol-2-one (PubChem CID 86281375) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-hydroxyethylamino)-1H-indol-2-one.

Molecular Properties

Compound Name3-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-hydroxyethylamino)-1H-indol-2-one
PubChem CID86281375
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name3-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-hydroxyethylamino)-1H-indol-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)C(NCCO)(C1CCCC1)C(=O)N2
InChIInChI=1S/C20H25N3O3/c1-12-18(13(2)26-23-12)14-7-8-17-16(11-14)20(19(25)22-17,21-9-10-24)15-5-3-4-6-15/h7-8,11,15,21,24H,3-6,9-10H2,1-2H3,(H,22,25)
InChIKeyFNDNIJJWRCWPOB-UHFFFAOYSA-N
XLogP2.88
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-hydroxyethylamino)-1H-indol-2-one?
The IUPAC name of 3-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-hydroxyethylamino)-1H-indol-2-one (CID 86281375) is 3-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-hydroxyethylamino)-1H-indol-2-one.
What is the SMILES notation for 3-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-hydroxyethylamino)-1H-indol-2-one?
The canonical SMILES for 3-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-hydroxyethylamino)-1H-indol-2-one is Cc1noc(C)c1-c1ccc2c(c1)C(NCCO)(C1CCCC1)C(=O)N2.
What is the InChIKey of 3-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-hydroxyethylamino)-1H-indol-2-one?
The InChIKey is FNDNIJJWRCWPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-12-18(13(2)26-23-12)14-7-8-17-16(11-14)20(19(25)22-17,21-9-10-24)15-5-3-4-6-15/h7-8,11,15,21,24H,3-6,9-10H2,1-2H3,(H,22,25).
What are the key properties of 3-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-hydroxyethylamino)-1H-indol-2-one?
3-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-hydroxyethylamino)-1H-indol-2-one has a molecular weight of 355.44 g/mol, XLogP of 2.88, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-hydroxyethylamino)-1H-indol-2-one is sourced from PubChem (CID 86281375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).