5-chloro-3,3-dimethyl-1-[2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-oxoethyl]indol-2-one

C20H24ClN5O3 — CID 91946586

IUPAC5-chloro-3,3-dimethyl-1-[2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-oxoethyl]indol-2-one
SMILESCc1nonc1CN1CCN(C(=O)CN2C(=O)C(C)(C)c3cc(Cl)ccc32)CC1
InChIInChI=1S/C20H24ClN5O3/c1-13-16(23-29-22-13)11-24-6-8-25(9-7-24)18(27)12-26-17-5-4-14(21)10-15(17)20(2,3)19(26)28/h4-5,10H,6-9,11-12H2,1-3H3
InChIKeyPTZTWJOUJDBRCG-UHFFFAOYSA-N
MW417.90 g/mol
LogP2.00
Rot. Bonds4

About 5-chloro-3,3-dimethyl-1-[2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-oxoethyl]indol-2-one

5-chloro-3,3-dimethyl-1-[2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-oxoethyl]indol-2-one (PubChem CID 91946586) has the molecular formula C20H24ClN5O3 and a molecular weight of 417.90 g/mol. Its IUPAC name is 5-chloro-3,3-dimethyl-1-[2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-oxoethyl]indol-2-one.

Molecular Properties

Compound Name5-chloro-3,3-dimethyl-1-[2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-oxoethyl]indol-2-one
PubChem CID91946586
Molecular FormulaC20H24ClN5O3
Molecular Weight417.90 g/mol
Exact Mass417.16
IUPAC Name5-chloro-3,3-dimethyl-1-[2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-oxoethyl]indol-2-one
SMILESCc1nonc1CN1CCN(C(=O)CN2C(=O)C(C)(C)c3cc(Cl)ccc32)CC1
InChIInChI=1S/C20H24ClN5O3/c1-13-16(23-29-22-13)11-24-6-8-25(9-7-24)18(27)12-26-17-5-4-14(21)10-15(17)20(2,3)19(26)28/h4-5,10H,6-9,11-12H2,1-3H3
InChIKeyPTZTWJOUJDBRCG-UHFFFAOYSA-N
XLogP2.00
TPSA82.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.90
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-chloro-3,3-dimethyl-1-[2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-oxoethyl]indol-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-3,3,5-trimethylindol-2-one
CID 53057472
2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 53057389
3,3-dimethyl-5-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-5-oxopentanoic acid
CID 91946677
2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-(cyclopropylmethyl)acetamide
CID 91945450
3,3-dimethyl-1-(2-morpholin-4-yl-2-oxoethyl)-5-morpholin-4-ylsulfonylindol-2-one
CID 50767788
3,3-dimethyl-1-(2-oxo-2-piperidin-1-ylethyl)indol-2-one
CID 51691258
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)acetamide
CID 91948684
2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 53057407
3-[2-(azepan-1-yl)-2-oxoethyl]-5-(2,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione
CID 4804699
(5S)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-(2,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione
CID 2703018
2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[1-(cyclopropylmethyl)pyrazol-4-yl]acetamide
CID 95749342
2-(4-chloro-3-methylpyrazol-1-yl)-1-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]ethanone
CID 19531523

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3,3-dimethyl-1-[2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-oxoethyl]indol-2-one?
The IUPAC name of 5-chloro-3,3-dimethyl-1-[2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-oxoethyl]indol-2-one (CID 91946586) is 5-chloro-3,3-dimethyl-1-[2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-oxoethyl]indol-2-one.
What is the SMILES notation for 5-chloro-3,3-dimethyl-1-[2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-oxoethyl]indol-2-one?
The canonical SMILES for 5-chloro-3,3-dimethyl-1-[2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-oxoethyl]indol-2-one is Cc1nonc1CN1CCN(C(=O)CN2C(=O)C(C)(C)c3cc(Cl)ccc32)CC1.
What is the InChIKey of 5-chloro-3,3-dimethyl-1-[2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-oxoethyl]indol-2-one?
The InChIKey is PTZTWJOUJDBRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O3/c1-13-16(23-29-22-13)11-24-6-8-25(9-7-24)18(27)12-26-17-5-4-14(21)10-15(17)20(2,3)19(26)28/h4-5,10H,6-9,11-12H2,1-3H3.
What are the key properties of 5-chloro-3,3-dimethyl-1-[2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-oxoethyl]indol-2-one?
5-chloro-3,3-dimethyl-1-[2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-oxoethyl]indol-2-one has a molecular weight of 417.90 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3,3-dimethyl-1-[2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-oxoethyl]indol-2-one is sourced from PubChem (CID 91946586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).