1-cyclopropyl-3,3-dimethyl-6-[5-(oxetan-3-yl)-1,3,4-oxadiazol-2-yl]indol-2-one;1-cyclopropyl-6-[4-(1-hydroxyethyl)imidazol-1-yl]-3,3-dimethylindol-2-one

C36H40N6O5 — CID 159090239

About 1-cyclopropyl-3,3-dimethyl-6-[5-(oxetan-3-yl)-1,3,4-oxadiazol-2-yl]indol-2-one;1-cyclopropyl-6-[4-(1-hydroxyethyl)imidazol-1-yl]-3,3-dimethylindol-2-one

1-cyclopropyl-3,3-dimethyl-6-[5-(oxetan-3-yl)-1,3,4-oxadiazol-2-yl]indol-2-one;1-cyclopropyl-6-[4-(1-hydroxyethyl)imidazol-1-yl]-3,3-dimethylindol-2-one (PubChem CID 159090239) has the molecular formula C36H40N6O5 and a molecular weight of 636.75 g/mol. Its IUPAC name is 1-cyclopropyl-3,3-dimethyl-6-[5-(oxetan-3-yl)-1,3,4-oxadiazol-2-yl]indol-2-one;1-cyclopropyl-6-[4-(1-hydroxyethyl)imidazol-1-yl]-3,3-dimethylindol-2-one.

Molecular Properties

• Compound Name: 1-cyclopropyl-3,3-dimethyl-6-[5-(oxetan-3-yl)-1,3,4-oxadiazol-2-yl]indol-2-one;1-cyclopropyl-6-[4-(1-hydroxyethyl)imidazol-1-yl]-3,3-dimethylindol-2-one
• PubChem CID: 159090239
• Molecular Formula: C36H40N6O5
• Molecular Weight: 636.75 g/mol
• Exact Mass: 636.31
• IUPAC Name: 1-cyclopropyl-3,3-dimethyl-6-[5-(oxetan-3-yl)-1,3,4-oxadiazol-2-yl]indol-2-one;1-cyclopropyl-6-[4-(1-hydroxyethyl)imidazol-1-yl]-3,3-dimethylindol-2-one
• SMILES: CC(O)c1cn(-c2ccc3c(c2)N(C2CC2)C(=O)C3(C)C)cn1.CC1(C)C(=O)N(C2CC2)c2cc(-c3nnc(C4COC4)o3)ccc21
• InChI: InChI=1S/C18H19N3O3.C18H21N3O2/c1-18(2)13-6-3-10(7-14(13)21(17(18)22)12-4-5-12)15-19-20-16(24-15)11-8-23-9-11;1-11(22)15-9-20(10-19-15)13-6-7-14-16(8-13)21(12-4-5-12)17(23)18(14,2)3/h3,6-7,11-12H,4-5,8-9H2,1-2H3;6-12,22H,4-5H2,1-3H3
• InChIKey: KBYVVCCIVXGYFJ-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 126.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	636.75
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3,3-dimethyl-6-[5-(oxetan-3-yl)-1,3,4-oxadiazol-2-yl]indol-2-one;1-cyclopropyl-6-[4-(1-hydroxyethyl)imidazol-1-yl]-3,3-dimethylindol-2-one?

The IUPAC name of 1-cyclopropyl-3,3-dimethyl-6-[5-(oxetan-3-yl)-1,3,4-oxadiazol-2-yl]indol-2-one;1-cyclopropyl-6-[4-(1-hydroxyethyl)imidazol-1-yl]-3,3-dimethylindol-2-one (CID 159090239) is 1-cyclopropyl-3,3-dimethyl-6-[5-(oxetan-3-yl)-1,3,4-oxadiazol-2-yl]indol-2-one;1-cyclopropyl-6-[4-(1-hydroxyethyl)imidazol-1-yl]-3,3-dimethylindol-2-one.

What is the SMILES notation for 1-cyclopropyl-3,3-dimethyl-6-[5-(oxetan-3-yl)-1,3,4-oxadiazol-2-yl]indol-2-one;1-cyclopropyl-6-[4-(1-hydroxyethyl)imidazol-1-yl]-3,3-dimethylindol-2-one?

The canonical SMILES for 1-cyclopropyl-3,3-dimethyl-6-[5-(oxetan-3-yl)-1,3,4-oxadiazol-2-yl]indol-2-one;1-cyclopropyl-6-[4-(1-hydroxyethyl)imidazol-1-yl]-3,3-dimethylindol-2-one is CC(O)c1cn(-c2ccc3c(c2)N(C2CC2)C(=O)C3(C)C)cn1.CC1(C)C(=O)N(C2CC2)c2cc(-c3nnc(C4COC4)o3)ccc21.

What is the InChIKey of 1-cyclopropyl-3,3-dimethyl-6-[5-(oxetan-3-yl)-1,3,4-oxadiazol-2-yl]indol-2-one;1-cyclopropyl-6-[4-(1-hydroxyethyl)imidazol-1-yl]-3,3-dimethylindol-2-one?

The InChIKey is KBYVVCCIVXGYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3.C18H21N3O2/c1-18(2)13-6-3-10(7-14(13)21(17(18)22)12-4-5-12)15-19-20-16(24-15)11-8-23-9-11;1-11(22)15-9-20(10-19-15)13-6-7-14-16(8-13)21(12-4-5-12)17(23)18(14,2)3/h3,6-7,11-12H,4-5,8-9H2,1-2H3;6-12,22H,4-5H2,1-3H3.

What are the key properties of 1-cyclopropyl-3,3-dimethyl-6-[5-(oxetan-3-yl)-1,3,4-oxadiazol-2-yl]indol-2-one;1-cyclopropyl-6-[4-(1-hydroxyethyl)imidazol-1-yl]-3,3-dimethylindol-2-one?

1-cyclopropyl-3,3-dimethyl-6-[5-(oxetan-3-yl)-1,3,4-oxadiazol-2-yl]indol-2-one;1-cyclopropyl-6-[4-(1-hydroxyethyl)imidazol-1-yl]-3,3-dimethylindol-2-one has a molecular weight of 636.75 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-3,3-dimethyl-6-[5-(oxetan-3-yl)-1,3,4-oxadiazol-2-yl]indol-2-one;1-cyclopropyl-6-[4-(1-hydroxyethyl)imidazol-1-yl]-3,3-dimethylindol-2-one is sourced from PubChem (CID 159090239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).