1,3-dihydroindol-2-one;3,3-dimethyl-1-(1-methylimidazol-4-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-2-one;3,3-dimethyl-6-(2-methyl-1,3-oxazol-5-yl)-1-(1-methylpyrazol-3-yl)indol-2-one

C43H42N10O5 — CID 158084841

IUPAC1,3-dihydroindol-2-one;3,3-dimethyl-1-(1-methylimidazol-4-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-2-one;3,3-dimethyl-6-(2-methyl-1,3-oxazol-5-yl)-1-(1-methylpyrazol-3-yl)indol-2-one
SMILESCc1ncc(-c2ccc3c(c2)N(c2ccn(C)n2)C(=O)C3(C)C)o1.Cc1nnc(-c2ccc3c(c2)N(c2cn(C)cn2)C(=O)C3(C)C)o1.O=C1Cc2ccccc2N1
InChIInChI=1S/C18H18N4O2.C17H17N5O2.C8H7NO/c1-11-19-10-15(24-11)12-5-6-13-14(9-12)22(17(23)18(13,2)3)16-7-8-21(4)20-16;1-10-19-20-15(24-10)11-5-6-12-13(7-11)22(16(23)17(12,2)3)14-8-21(4)9-18-14;10-8-5-6-3-1-2-4-7(6)9-8/h5-10H,1-4H3;5-9H,1-4H3;1-4H,5H2,(H,9,10)
InChIKeyFNJSGHFZEVQZDW-UHFFFAOYSA-N
MW778.87 g/mol
LogP7.26
Rot. Bonds4

About 1,3-dihydroindol-2-one;3,3-dimethyl-1-(1-methylimidazol-4-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-2-one;3,3-dimethyl-6-(2-methyl-1,3-oxazol-5-yl)-1-(1-methylpyrazol-3-yl)indol-2-one

1,3-dihydroindol-2-one;3,3-dimethyl-1-(1-methylimidazol-4-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-2-one;3,3-dimethyl-6-(2-methyl-1,3-oxazol-5-yl)-1-(1-methylpyrazol-3-yl)indol-2-one (PubChem CID 158084841) has the molecular formula C43H42N10O5 and a molecular weight of 778.87 g/mol. Its IUPAC name is 1,3-dihydroindol-2-one;3,3-dimethyl-1-(1-methylimidazol-4-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-2-one;3,3-dimethyl-6-(2-methyl-1,3-oxazol-5-yl)-1-(1-methylpyrazol-3-yl)indol-2-one.

Molecular Properties

Compound Name1,3-dihydroindol-2-one;3,3-dimethyl-1-(1-methylimidazol-4-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-2-one;3,3-dimethyl-6-(2-methyl-1,3-oxazol-5-yl)-1-(1-methylpyrazol-3-yl)indol-2-one
PubChem CID158084841
Molecular FormulaC43H42N10O5
Molecular Weight778.87 g/mol
Exact Mass778.33
IUPAC Name1,3-dihydroindol-2-one;3,3-dimethyl-1-(1-methylimidazol-4-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-2-one;3,3-dimethyl-6-(2-methyl-1,3-oxazol-5-yl)-1-(1-methylpyrazol-3-yl)indol-2-one
SMILESCc1ncc(-c2ccc3c(c2)N(c2ccn(C)n2)C(=O)C3(C)C)o1.Cc1nnc(-c2ccc3c(c2)N(c2cn(C)cn2)C(=O)C3(C)C)o1.O=C1Cc2ccccc2N1
InChIInChI=1S/C18H18N4O2.C17H17N5O2.C8H7NO/c1-11-19-10-15(24-11)12-5-6-13-14(9-12)22(17(23)18(13,2)3)16-7-8-21(4)20-16;1-10-19-20-15(24-10)11-5-6-12-13(7-11)22(16(23)17(12,2)3)14-8-21(4)9-18-14;10-8-5-6-3-1-2-4-7(6)9-8/h5-10H,1-4H3;5-9H,1-4H3;1-4H,5H2,(H,9,10)
InChIKeyFNJSGHFZEVQZDW-UHFFFAOYSA-N
XLogP7.26
TPSA170.31 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500778.87
LogP ≤ 57.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 1,3-dihydroindol-2-one;3,3-dimethyl-1-(1-methylimidazol-4-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-2-one;3,3-dimethyl-6-(2-methyl-1,3-oxazol-5-yl)-1-(1-methylpyrazol-3-yl)indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-tert-butyl-N-diazenyl-N-ethenyl-2-methylaniline;N-(3-tert-butyl-2-methylphenyl)-N-ethenylmethanimidamide;1-(3-tert-butyl-2-methylphenyl)imidazole;2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;bis(1-(3-tert-butyl-2-methylphenyl)pyrazole);1-(3-tert-butyl-2-methylphenyl)triazole;2-(3-tert-butyl-2-methylphenyl)triazole;(3-tert-butylphenyl)-(3,3-difluoroazetidin-1-yl)methanone;1-(3-tert-butylphenyl)-1,2,4-triazole;1-methyl-4-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-5-(2-methyl-3-propan-2-ylphenyl)imidazole;1-methyl-3-(2-methyl-3-propan-2-ylphenyl)pyrazole;3-(2-methyl-3-propan-2-ylphenyl)-1H-pyrrole
CID 158483448
4-(3-tert-butyl-5-fluorophenyl)-1-methylpyrazole;4-(4-tert-butyl-2-fluorophenyl)-1-methylpyrazole;4-(4-tert-butyl-3-fluorophenyl)-1-methylpyrazole;4-(5-tert-butyl-2-fluorophenyl)-1-methylpyrazole;1-tert-butyl-3-methylbenzene;6-tert-butyl-1-methylindazole;bis(5-(3-tert-butylphenyl)-1,3-oxazole);1-(3-tert-butylphenyl)-1,2,4-triazole;1-(4-tert-butylphenyl)-1,2,4-triazole;3-tert-butyl-N-propan-2-ylbenzamide;1-tert-butyl-3-(trifluoromethyl)benzene
CID 160078155
1-(3-tert-butyl-2-methylphenyl)imidazole;2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;bis(1-(3-tert-butyl-2-methylphenyl)pyrazole);4-(3-tert-butyl-2-methylphenyl)-1H-pyrazole;bis(1-(3-tert-butyl-2-methylphenyl)triazole);2-(3-tert-butyl-2-methylphenyl)triazole;4-(3-tert-butyl-2-methylphenyl)-1,2,4-triazole;(3-tert-butylphenyl)-(3,3-difluoroazetidin-1-yl)methanone;1-(3-tert-butylphenyl)imidazole;2-(3-tert-butylphenyl)-1,3-oxazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole
CID 161911064
N-[[2-(4-fluoropyrazol-1-yl)phenyl]methyl]propan-2-amine;N-[(2-fluoro-6-pyrazol-1-ylphenyl)methyl]propan-2-amine;N-[(2-imidazol-1-ylphenyl)methyl]propan-2-amine;N-[[2-(1H-imidazol-5-yl)phenyl]methyl]propan-2-amine;N-[[2-(4-methoxypyrazol-1-yl)phenyl]methyl]propan-2-amine;N-[[2-(1-methylimidazol-4-yl)phenyl]methyl]propan-2-amine;N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]propan-2-amine;N-[[2-(4-methylpyrazol-1-yl)phenyl]methyl]propan-2-amine;N-[(4-methyl-2-pyrazol-1-ylphenyl)methyl]propan-2-amine;N-[[2-(1,3-oxazol-2-yl)phenyl]methyl]propan-2-amine;1-[2-[(propan-2-ylamino)methyl]phenyl]pyrazol-4-amine;N-[(2-pyrazol-1-ylphenyl)methyl]propan-2-amine;N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]propan-2-amine;N-[[2-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]propan-2-amine
CID 165053907
3-methyl-4,5-diphenyl-1,2,4-triazole;3-methyl-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole;3-methyl-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;5-phenyl-2-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole
CID 90952868
1-Cyclopropyl-3,3-dimethyl-6-[5-(2-methyl-4-pyridinyl)-1,3-oxazol-2-yl]indol-2-one;1,3,3-trimethyl-6-(4-pyridin-4-ylimidazol-1-yl)indol-2-one
CID 118526036
3,3-dimethyl-6-(2-methyl-1,3-oxazol-5-yl)-1-(4-methyl-1H-pyrazol-5-yl)indol-2-one
CID 118611596
3,3-Dimethyl-6-(2-methyl-1,3-oxazol-5-yl)-1-(1-methylpyrazol-3-yl)indol-2-one
CID 118613758
3,3-Dimethyl-1-(1-methylimidazol-4-yl)-6-(2-methyl-1,3-oxazol-5-yl)indol-2-one
CID 118613964
(5S)-2-[3-(2-methyl-[1,3]oxazolo[4,5-b]pyridin-5-yl)-1H-indazol-5-yl]-7-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 141761495
4-(4-methoxybutanoylamino)-1-methyl-N-[1-methyl-5-[[1-methyl-5-[6-(2-methylpentan-2-yl)indazole-1-carbonyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]imidazole-2-carboxamide;[5-methoxy-2-(methylideneamino)phenyl]-(3-methylidenepyrrolidin-1-yl)methanone
CID 145404860
2-[3-(2-methyl-[1,3]oxazolo[4,5-b]pyridin-5-yl)-1H-indazol-5-yl]-7-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 154961247

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroindol-2-one;3,3-dimethyl-1-(1-methylimidazol-4-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-2-one;3,3-dimethyl-6-(2-methyl-1,3-oxazol-5-yl)-1-(1-methylpyrazol-3-yl)indol-2-one?
The IUPAC name of 1,3-dihydroindol-2-one;3,3-dimethyl-1-(1-methylimidazol-4-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-2-one;3,3-dimethyl-6-(2-methyl-1,3-oxazol-5-yl)-1-(1-methylpyrazol-3-yl)indol-2-one (CID 158084841) is 1,3-dihydroindol-2-one;3,3-dimethyl-1-(1-methylimidazol-4-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-2-one;3,3-dimethyl-6-(2-methyl-1,3-oxazol-5-yl)-1-(1-methylpyrazol-3-yl)indol-2-one.
What is the SMILES notation for 1,3-dihydroindol-2-one;3,3-dimethyl-1-(1-methylimidazol-4-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-2-one;3,3-dimethyl-6-(2-methyl-1,3-oxazol-5-yl)-1-(1-methylpyrazol-3-yl)indol-2-one?
The canonical SMILES for 1,3-dihydroindol-2-one;3,3-dimethyl-1-(1-methylimidazol-4-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-2-one;3,3-dimethyl-6-(2-methyl-1,3-oxazol-5-yl)-1-(1-methylpyrazol-3-yl)indol-2-one is Cc1ncc(-c2ccc3c(c2)N(c2ccn(C)n2)C(=O)C3(C)C)o1.Cc1nnc(-c2ccc3c(c2)N(c2cn(C)cn2)C(=O)C3(C)C)o1.O=C1Cc2ccccc2N1.
What is the InChIKey of 1,3-dihydroindol-2-one;3,3-dimethyl-1-(1-methylimidazol-4-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-2-one;3,3-dimethyl-6-(2-methyl-1,3-oxazol-5-yl)-1-(1-methylpyrazol-3-yl)indol-2-one?
The InChIKey is FNJSGHFZEVQZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2.C17H17N5O2.C8H7NO/c1-11-19-10-15(24-11)12-5-6-13-14(9-12)22(17(23)18(13,2)3)16-7-8-21(4)20-16;1-10-19-20-15(24-10)11-5-6-12-13(7-11)22(16(23)17(12,2)3)14-8-21(4)9-18-14;10-8-5-6-3-1-2-4-7(6)9-8/h5-10H,1-4H3;5-9H,1-4H3;1-4H,5H2,(H,9,10).
What are the key properties of 1,3-dihydroindol-2-one;3,3-dimethyl-1-(1-methylimidazol-4-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-2-one;3,3-dimethyl-6-(2-methyl-1,3-oxazol-5-yl)-1-(1-methylpyrazol-3-yl)indol-2-one?
1,3-dihydroindol-2-one;3,3-dimethyl-1-(1-methylimidazol-4-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-2-one;3,3-dimethyl-6-(2-methyl-1,3-oxazol-5-yl)-1-(1-methylpyrazol-3-yl)indol-2-one has a molecular weight of 778.87 g/mol, XLogP of 7.26, 4 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroindol-2-one;3,3-dimethyl-1-(1-methylimidazol-4-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-2-one;3,3-dimethyl-6-(2-methyl-1,3-oxazol-5-yl)-1-(1-methylpyrazol-3-yl)indol-2-one is sourced from PubChem (CID 158084841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).