5-[1-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]ethylamino]-1,3-dihydroindol-2-one

C19H15Cl2N3O2 — CID 119033531

IUPAC5-[1-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]ethylamino]-1,3-dihydroindol-2-one
SMILESCC(Nc1ccc2c(c1)CC(=O)N2)c1ncc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C19H15Cl2N3O2/c1-10(23-13-3-5-16-11(6-13)7-18(25)24-16)19-22-9-17(26-19)14-4-2-12(20)8-15(14)21/h2-6,8-10,23H,7H2,1H3,(H,24,25)
InChIKeyLFVSHSFYCCFCFF-UHFFFAOYSA-N
MW388.25 g/mol
LogP5.32
Rot. Bonds4

About 5-[1-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]ethylamino]-1,3-dihydroindol-2-one

5-[1-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]ethylamino]-1,3-dihydroindol-2-one (PubChem CID 119033531) has the molecular formula C19H15Cl2N3O2 and a molecular weight of 388.25 g/mol. Its IUPAC name is 5-[1-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]ethylamino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[1-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]ethylamino]-1,3-dihydroindol-2-one
PubChem CID119033531
Molecular FormulaC19H15Cl2N3O2
Molecular Weight388.25 g/mol
Exact Mass387.05
IUPAC Name5-[1-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]ethylamino]-1,3-dihydroindol-2-one
SMILESCC(Nc1ccc2c(c1)CC(=O)N2)c1ncc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C19H15Cl2N3O2/c1-10(23-13-3-5-16-11(6-13)7-18(25)24-16)19-22-9-17(26-19)14-4-2-12(20)8-15(14)21/h2-6,8-10,23H,7H2,1H3,(H,24,25)
InChIKeyLFVSHSFYCCFCFF-UHFFFAOYSA-N
XLogP5.32
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.25
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]ethylamino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[1-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]ethylamino]-1,3-dihydroindol-2-one (CID 119033531) is 5-[1-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]ethylamino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[1-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]ethylamino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[1-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]ethylamino]-1,3-dihydroindol-2-one is CC(Nc1ccc2c(c1)CC(=O)N2)c1ncc(-c2ccc(Cl)cc2Cl)o1.
What is the InChIKey of 5-[1-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]ethylamino]-1,3-dihydroindol-2-one?
The InChIKey is LFVSHSFYCCFCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O2/c1-10(23-13-3-5-16-11(6-13)7-18(25)24-16)19-22-9-17(26-19)14-4-2-12(20)8-15(14)21/h2-6,8-10,23H,7H2,1H3,(H,24,25).
What are the key properties of 5-[1-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]ethylamino]-1,3-dihydroindol-2-one?
5-[1-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]ethylamino]-1,3-dihydroindol-2-one has a molecular weight of 388.25 g/mol, XLogP of 5.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]ethylamino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 119033531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).