1'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one

C16H17N3O4S — CID 53176973

IUPAC1'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCc1noc(C)c1S(=O)(=O)N1CCC2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C16H17N3O4S/c1-10-14(11(2)23-18-10)24(21,22)19-8-7-16(9-19)12-5-3-4-6-13(12)17-15(16)20/h3-6H,7-9H2,1-2H3,(H,17,20)
InChIKeyIGUMYNLCHWIRTE-UHFFFAOYSA-N
MW347.40 g/mol
LogP1.58
Rot. Bonds2

About 1'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one

1'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 53176973) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is 1'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID53176973
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC Name1'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCc1noc(C)c1S(=O)(=O)N1CCC2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C16H17N3O4S/c1-10-14(11(2)23-18-10)24(21,22)19-8-7-16(9-19)12-5-3-4-6-13(12)17-15(16)20/h3-6H,7-9H2,1-2H3,(H,17,20)
InChIKeyIGUMYNLCHWIRTE-UHFFFAOYSA-N
XLogP1.58
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1'-(1,3,5-trimethylpyrazol-4-yl)sulfonylspiro[1H-indole-3,3'-piperidine]-2-one
CID 56904006
(3S)-1'-(1,3,5-trimethylpyrazol-4-yl)sulfonylspiro[1H-indole-3,3'-piperidine]-2-one
CID 95717935
(3S)-1'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-5-methoxy-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 95104210
4-(2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl)sulfonylbenzonitrile
CID 53176982
1'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]spiro[1H-pyrido[3,4-d][1,3]oxazine-4,3'-pyrrolidine]-2-one
CID 134793839
8-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 42065050
4-[4-(benzenesulfonyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 26545041
1'-(1-ethyl-5-methylpyrazol-4-yl)sulfonylspiro[1H-indole-3,4'-piperidine]-2-one
CID 56903224
(3R)-N,N-dimethyl-2-oxospiro[1H-indole-3,3'-piperidine]-1'-sulfonamide
CID 95707296
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 72861309
[(3S)-3-benzyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanol
CID 25383119
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63149662

Frequently Asked Questions

What is the IUPAC name of 1'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 53176973) is 1'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one is Cc1noc(C)c1S(=O)(=O)N1CCC2(C1)C(=O)Nc1ccccc12.
What is the InChIKey of 1'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is IGUMYNLCHWIRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S/c1-10-14(11(2)23-18-10)24(21,22)19-8-7-16(9-19)12-5-3-4-6-13(12)17-15(16)20/h3-6H,7-9H2,1-2H3,(H,17,20).
What are the key properties of 1'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?
1'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 347.40 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 53176973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).