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

C24H27N3O2 — CID 86282037

IUPAC3-[3-(dimethylamino)propyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-phenyl-1H-indol-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)C(CCCN(C)C)(c1ccccc1)C(=O)N2
InChIInChI=1S/C24H27N3O2/c1-16-22(17(2)29-26-16)18-11-12-21-20(15-18)24(23(28)25-21,13-8-14-27(3)4)19-9-6-5-7-10-19/h5-7,9-12,15H,8,13-14H2,1-4H3,(H,25,28)
InChIKeyUPPHLHGRXCOSOL-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.54
Rot. Bonds6

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

3-[3-(dimethylamino)propyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-phenyl-1H-indol-2-one (PubChem CID 86282037) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-phenyl-1H-indol-2-one.

Molecular Properties

Compound Name3-[3-(dimethylamino)propyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-phenyl-1H-indol-2-one
PubChem CID86282037
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name3-[3-(dimethylamino)propyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-phenyl-1H-indol-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)C(CCCN(C)C)(c1ccccc1)C(=O)N2
InChIInChI=1S/C24H27N3O2/c1-16-22(17(2)29-26-16)18-11-12-21-20(15-18)24(23(28)25-21,13-8-14-27(3)4)19-9-6-5-7-10-19/h5-7,9-12,15H,8,13-14H2,1-4H3,(H,25,28)
InChIKeyUPPHLHGRXCOSOL-UHFFFAOYSA-N
XLogP4.54
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-(dimethylamino)propyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-phenyl-1H-indol-2-one with MolForge

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Related Compounds

Icopezil
CID 172972
(3~{s})-5-(3,5-Dimethyl-1,2-Oxazol-4-Yl)-2-Methyl-3-Phenyl-3~{h}-Isoindol-1-One
CID 78428091
N-(2,6-Diisopropyl-phenyl)-2-(3-dodecyl-isoxazol-5-yl)-2-phenyl-acetamide
CID 10554232
1-Cycloheptyl-1-[(5-phenyl-1,2-oxazol-3-yl)methyl]-3-(2,4,6-trimethylphenyl)urea
CID 10622585
N-(2,6-Diisopropyl-phenyl)-2-(5-dodecyl-isoxazol-3-yl)-2-phenyl-acetamide
CID 10720988
(E)-N-hydroxy-3-[2-[2-(3-methyl-5-phenyl-1,2-oxazol-4-yl)ethyl]-1,3-dihydroisoindol-5-yl]prop-2-enamide
CID 24959542
N-tert-butyl-2-(1-((3,5-dimethylisoxazol-4-yl)methyl)-2-(3,5-dimethylphenyl)-1H-indol-5-yl)-2-methylpropanamide
CID 25101527
6-(3,5-Dimethyl-isoxazol-4-yl)-3-methyl-4-phenyl-3,4-dihydro-1H-quinazolin-2-one
CID 86273096
6-(3,5-Dimethyl-isoxazol-4-yl)-3,4-dimethyl-4-phenyl-3,4-dihydro-1H-quinazolin-2-one
CID 86273586
5-(3,5-Dimethylisoxazol-4-yl)-3-hydroxy-3-phenylindolin-2-one
CID 86296101
4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-quinolin-2-one
CID 121342355
3-(2-(1-benzylpiperidin-4-yl)ethyl)-6H-isoxazolo[5,4-e]indol-7(8H)-one
CID 135517369

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-phenyl-1H-indol-2-one?
The IUPAC name of 3-[3-(dimethylamino)propyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-phenyl-1H-indol-2-one (CID 86282037) is 3-[3-(dimethylamino)propyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-phenyl-1H-indol-2-one.
What is the SMILES notation for 3-[3-(dimethylamino)propyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-phenyl-1H-indol-2-one?
The canonical SMILES for 3-[3-(dimethylamino)propyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-phenyl-1H-indol-2-one is Cc1noc(C)c1-c1ccc2c(c1)C(CCCN(C)C)(c1ccccc1)C(=O)N2.
What is the InChIKey of 3-[3-(dimethylamino)propyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-phenyl-1H-indol-2-one?
The InChIKey is UPPHLHGRXCOSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-16-22(17(2)29-26-16)18-11-12-21-20(15-18)24(23(28)25-21,13-8-14-27(3)4)19-9-6-5-7-10-19/h5-7,9-12,15H,8,13-14H2,1-4H3,(H,25,28).
What are the key properties of 3-[3-(dimethylamino)propyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-phenyl-1H-indol-2-one?
3-[3-(dimethylamino)propyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-phenyl-1H-indol-2-one has a molecular weight of 389.50 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-phenyl-1H-indol-2-one is sourced from PubChem (CID 86282037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).