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

C42H39N7O5 — CID 137405466

IUPAC1-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
SMILESCC1(C)C(=O)N(C2COC2)c2cc(-c3nnc(-c4ccncc4)o3)ccc21.Cc1cc(-c2ncc(-c3ccc4c(c3)N(C3CC3)C(=O)C4(C)C)o2)ccn1
InChIInChI=1S/C22H21N3O2.C20H18N4O3/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/h4,7-12,16H,5-6H2,1-3H3;3-9,14H,10-11H2,1-2H3
InChIKeyCLWHHUMMYJPGIN-UHFFFAOYSA-N
MW721.82 g/mol
LogP7.32
Rot. Bonds6

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-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 (PubChem CID 137405466) has the molecular formula C42H39N7O5 and a molecular weight of 721.82 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.

Molecular Properties

Compound Name1-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
PubChem CID137405466
Molecular FormulaC42H39N7O5
Molecular Weight721.82 g/mol
Exact Mass721.30
IUPAC Name1-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
SMILESCC1(C)C(=O)N(C2COC2)c2cc(-c3nnc(-c4ccncc4)o3)ccc21.Cc1cc(-c2ncc(-c3ccc4c(c3)N(C3CC3)C(=O)C4(C)C)o2)ccn1
InChIInChI=1S/C22H21N3O2.C20H18N4O3/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/h4,7-12,16H,5-6H2,1-3H3;3-9,14H,10-11H2,1-2H3
InChIKeyCLWHHUMMYJPGIN-UHFFFAOYSA-N
XLogP7.32
TPSA140.58 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.82
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

6-[2-(5-Fluoro-2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]-1,3,3-trimethylindol-2-one
CID 118525888
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-(cyclopropylmethyl)-N-methyl-6-(1,3-oxazol-2-yl)indazole-3-carboxamide
CID 46239980
5-[5-[7-[6-(1,3-Oxazol-5-yl)-3-pyridinyl]-9-phenylcarbazol-2-yl]-2-pyridinyl]-1,3-oxazole
CID 117638979
5-[6-[7-[6-(1,3-Oxazol-5-yl)-2-pyridinyl]-9-phenylcarbazol-2-yl]-2-pyridinyl]-1,3-oxazole
CID 117639058
2-[5-[7-[6-(1,3-Oxazol-2-yl)-3-pyridinyl]-9-phenylcarbazol-2-yl]-2-pyridinyl]-1,3-oxazole
CID 117639195
2-[6-[7-[6-(1,3-Oxazol-2-yl)-2-pyridinyl]-9-phenylcarbazol-2-yl]-2-pyridinyl]-1,3-oxazole
CID 117639462
3,3-dimethyl-6-[2-(6-methyl-3-pyridinyl)-1,3-oxazol-5-yl]-1-(oxetan-3-yl)indol-2-one;3,3-dimethyl-6-(2-pyridin-3-yl-1,3-oxazol-5-yl)-1H-indol-2-one
CID 118525893
3,3-Dimethyl-6-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]-1-(oxetan-3-yl)indol-2-one
CID 118525925
1-Cyclopropyl-3,3-dimethyl-6-[4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one;1,3,3-trimethyl-6-(4-pyridin-4-ylpyrazol-1-yl)indol-2-one
CID 118525951
1-Cyclopropyl-3,3-dimethyl-6-[4-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one
CID 118525953
1-Cyclopropyl-3,3-dimethyl-6-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one
CID 118525992
1,3,3-Trimethyl-6-[2-(2-methyl-4-pyridinyl)-1,3-oxazol-5-yl]indol-2-one
CID 118525994

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?
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 (CID 137405466) 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.
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?
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 is CC1(C)C(=O)N(C2COC2)c2cc(-c3nnc(-c4ccncc4)o3)ccc21.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?
The InChIKey is CLWHHUMMYJPGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2.C20H18N4O3/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/h4,7-12,16H,5-6H2,1-3H3;3-9,14H,10-11H2,1-2H3.
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-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 has a molecular weight of 721.82 g/mol, XLogP of 7.32, 6 rotatable bonds, 0 hydrogen bond donors, and 10 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 is sourced from PubChem (CID 137405466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).