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

C21H21N3O3 — CID 86280820

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-hydroxyethylamino)-3-phenyl-1H-indol-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)C(NCCO)(c1ccccc1)C(=O)N2
InChIInChI=1S/C21H21N3O3/c1-13-19(14(2)27-24-13)15-8-9-18-17(12-15)21(20(26)23-18,22-10-11-25)16-6-4-3-5-7-16/h3-9,12,22,25H,10-11H2,1-2H3,(H,23,26)
InChIKeyNKMNLZBBDPWHJS-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.74
Rot. Bonds5

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

5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-hydroxyethylamino)-3-phenyl-1H-indol-2-one (PubChem CID 86280820) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-hydroxyethylamino)-3-phenyl-1H-indol-2-one.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-hydroxyethylamino)-3-phenyl-1H-indol-2-one
PubChem CID86280820
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-hydroxyethylamino)-3-phenyl-1H-indol-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)C(NCCO)(c1ccccc1)C(=O)N2
InChIInChI=1S/C21H21N3O3/c1-13-19(14(2)27-24-13)15-8-9-18-17(12-15)21(20(26)23-18,22-10-11-25)16-6-4-3-5-7-16/h3-9,12,22,25H,10-11H2,1-2H3,(H,23,26)
InChIKeyNKMNLZBBDPWHJS-UHFFFAOYSA-N
XLogP2.74
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.74
H-Bond Donors ≤ 53
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-(2-hydroxyethylamino)-3-phenyl-1H-indol-2-one?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-hydroxyethylamino)-3-phenyl-1H-indol-2-one (CID 86280820) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-hydroxyethylamino)-3-phenyl-1H-indol-2-one.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-hydroxyethylamino)-3-phenyl-1H-indol-2-one?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-hydroxyethylamino)-3-phenyl-1H-indol-2-one is Cc1noc(C)c1-c1ccc2c(c1)C(NCCO)(c1ccccc1)C(=O)N2.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-hydroxyethylamino)-3-phenyl-1H-indol-2-one?
The InChIKey is NKMNLZBBDPWHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-13-19(14(2)27-24-13)15-8-9-18-17(12-15)21(20(26)23-18,22-10-11-25)16-6-4-3-5-7-16/h3-9,12,22,25H,10-11H2,1-2H3,(H,23,26).
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-hydroxyethylamino)-3-phenyl-1H-indol-2-one?
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-hydroxyethylamino)-3-phenyl-1H-indol-2-one has a molecular weight of 363.42 g/mol, XLogP of 2.74, 5 rotatable bonds, 3 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-(2-hydroxyethylamino)-3-phenyl-1H-indol-2-one is sourced from PubChem (CID 86280820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).