1-cyclopropyl-3,3-dimethyl-6-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one;3,3-dimethyl-1-(oxetan-3-yl)-6-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)indol-2-one;1,3,3-trimethyl-6-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)indol-2-one

C60H55N11O7 — CID 118526098

About 1-cyclopropyl-3,3-dimethyl-6-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one;3,3-dimethyl-1-(oxetan-3-yl)-6-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)indol-2-one;1,3,3-trimethyl-6-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)indol-2-one

1-cyclopropyl-3,3-dimethyl-6-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one;3,3-dimethyl-1-(oxetan-3-yl)-6-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)indol-2-one;1,3,3-trimethyl-6-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)indol-2-one (PubChem CID 118526098) has the molecular formula C60H55N11O7 and a molecular weight of 1042.17 g/mol. Its IUPAC name is 1-cyclopropyl-3,3-dimethyl-6-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one;3,3-dimethyl-1-(oxetan-3-yl)-6-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)indol-2-one;1,3,3-trimethyl-6-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)indol-2-one.

Molecular Properties

• Compound Name: 1-cyclopropyl-3,3-dimethyl-6-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one;3,3-dimethyl-1-(oxetan-3-yl)-6-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)indol-2-one;1,3,3-trimethyl-6-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)indol-2-one
• PubChem CID: 118526098
• Molecular Formula: C60H55N11O7
• Molecular Weight: 1042.17 g/mol
• Exact Mass: 1041.43
• IUPAC Name: 1-cyclopropyl-3,3-dimethyl-6-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one;3,3-dimethyl-1-(oxetan-3-yl)-6-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)indol-2-one;1,3,3-trimethyl-6-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)indol-2-one
• SMILES: CC1(C)C(=O)N(C2COC2)c2cc(-c3nnc(-c4ccncc4)o3)ccc21.CN1C(=O)C(C)(C)c2ccc(-c3nnc(-c4ccncc4)o3)cc21.Cc1cc(-c2ncc(-c3ccc4c(c3)N(C3CC3)C(=O)C4(C)C)o2)ccn1
• InChI: InChI=1S/C22H21N3O2.C20H18N4O3.C18H16N4O2/c1-13-10-15(8-9-23-13)20-24-12-19(27-20)14-4-7-17-18(11-14)25(16-5-6-16)21(26)22(17,2)3;1-20(2)15-4-3-13(9-16(15)24(19(20)25)14-10-26-11-14)18-23-22-17(27-18)12-5-7-21-8-6-12;1-18(2)13-5-4-12(10-14(13)22(3)17(18)23)16-21-20-15(24-16)11-6-8-19-9-7-11/h4,7-12,16H,5-6H2,1-3H3;3-9,14H,10-11H2,1-2H3;4-10H,1-3H3
• InChIKey: LGABPEYINFZEKY-UHFFFAOYSA-N
• XLogP: 10.37
• TPSA: 212.70 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 8
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1042.17
LogP ≤ 5	10.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3,3-dimethyl-6-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one;3,3-dimethyl-1-(oxetan-3-yl)-6-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)indol-2-one;1,3,3-trimethyl-6-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)indol-2-one?

The IUPAC name of 1-cyclopropyl-3,3-dimethyl-6-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one;3,3-dimethyl-1-(oxetan-3-yl)-6-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)indol-2-one;1,3,3-trimethyl-6-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)indol-2-one (CID 118526098) is 1-cyclopropyl-3,3-dimethyl-6-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one;3,3-dimethyl-1-(oxetan-3-yl)-6-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)indol-2-one;1,3,3-trimethyl-6-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)indol-2-one.

What is the SMILES notation for 1-cyclopropyl-3,3-dimethyl-6-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one;3,3-dimethyl-1-(oxetan-3-yl)-6-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)indol-2-one;1,3,3-trimethyl-6-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)indol-2-one?

The canonical SMILES for 1-cyclopropyl-3,3-dimethyl-6-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one;3,3-dimethyl-1-(oxetan-3-yl)-6-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)indol-2-one;1,3,3-trimethyl-6-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)indol-2-one is CC1(C)C(=O)N(C2COC2)c2cc(-c3nnc(-c4ccncc4)o3)ccc21.CN1C(=O)C(C)(C)c2ccc(-c3nnc(-c4ccncc4)o3)cc21.Cc1cc(-c2ncc(-c3ccc4c(c3)N(C3CC3)C(=O)C4(C)C)o2)ccn1.

What is the InChIKey of 1-cyclopropyl-3,3-dimethyl-6-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one;3,3-dimethyl-1-(oxetan-3-yl)-6-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)indol-2-one;1,3,3-trimethyl-6-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)indol-2-one?

The InChIKey is LGABPEYINFZEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2.C20H18N4O3.C18H16N4O2/c1-13-10-15(8-9-23-13)20-24-12-19(27-20)14-4-7-17-18(11-14)25(16-5-6-16)21(26)22(17,2)3;1-20(2)15-4-3-13(9-16(15)24(19(20)25)14-10-26-11-14)18-23-22-17(27-18)12-5-7-21-8-6-12;1-18(2)13-5-4-12(10-14(13)22(3)17(18)23)16-21-20-15(24-16)11-6-8-19-9-7-11/h4,7-12,16H,5-6H2,1-3H3;3-9,14H,10-11H2,1-2H3;4-10H,1-3H3.

What are the key properties of 1-cyclopropyl-3,3-dimethyl-6-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one;3,3-dimethyl-1-(oxetan-3-yl)-6-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)indol-2-one;1,3,3-trimethyl-6-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)indol-2-one?

1-cyclopropyl-3,3-dimethyl-6-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one;3,3-dimethyl-1-(oxetan-3-yl)-6-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)indol-2-one;1,3,3-trimethyl-6-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)indol-2-one has a molecular weight of 1042.17 g/mol, XLogP of 10.37, 8 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-3,3-dimethyl-6-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one;3,3-dimethyl-1-(oxetan-3-yl)-6-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)indol-2-one;1,3,3-trimethyl-6-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)indol-2-one is sourced from PubChem (CID 118526098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).