1-[(3R)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone

C19H23N3O4S — CID 97343688

IUPAC1-[(3R)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone
SMILESCc1cc(CC(=O)N2CCC[C@@H](S(=O)(=O)N3CCc4ccccc43)C2)no1
InChIInChI=1S/C19H23N3O4S/c1-14-11-16(20-26-14)12-19(23)21-9-4-6-17(13-21)27(24,25)22-10-8-15-5-2-3-7-18(15)22/h2-3,5,7,11,17H,4,6,8-10,12-13H2,1H3/t17-/m1/s1
InChIKeyWFNIKUMJNGFFBP-QGZVFWFLSA-N
MW389.48 g/mol
LogP1.91
Rot. Bonds4

About 1-[(3R)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone

1-[(3R)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone (PubChem CID 97343688) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 1-[(3R)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone.

Molecular Properties

Compound Name1-[(3R)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone
PubChem CID97343688
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name1-[(3R)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone
SMILESCc1cc(CC(=O)N2CCC[C@@H](S(=O)(=O)N3CCc4ccccc43)C2)no1
InChIInChI=1S/C19H23N3O4S/c1-14-11-16(20-26-14)12-19(23)21-9-4-6-17(13-21)27(24,25)22-10-8-15-5-2-3-7-18(15)22/h2-3,5,7,11,17H,4,6,8-10,12-13H2,1H3/t17-/m1/s1
InChIKeyWFNIKUMJNGFFBP-QGZVFWFLSA-N
XLogP1.91
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3S)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-2-ethoxyethanone
CID 97343625
[(3R)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 97343610
1-[(3S)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone
CID 97343704
[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(2,5-dimethyl-1,3-oxazol-4-yl)methanone
CID 126807446
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2,5-dimethylpyrazol-3-yl)piperidine-1-carboxamide
CID 75473861
[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 126813423
1-[3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone
CID 75375614
1-[(3S)-3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone
CID 95906930
2-(5-methyl-1,2-oxazol-3-yl)-1-(2-phenylmorpholin-4-yl)ethanone
CID 110629831
(5-methyl-1,2-oxazol-3-yl)methyl (E)-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enoate
CID 28569989
5-[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 133455740
1-(1-pyridin-2-ylpiperidin-3-yl)sulfonyl-2,3-dihydroindole
CID 91650455

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone?
The IUPAC name of 1-[(3R)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone (CID 97343688) is 1-[(3R)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone.
What is the SMILES notation for 1-[(3R)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone?
The canonical SMILES for 1-[(3R)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone is Cc1cc(CC(=O)N2CCC[C@@H](S(=O)(=O)N3CCc4ccccc43)C2)no1.
What is the InChIKey of 1-[(3R)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone?
The InChIKey is WFNIKUMJNGFFBP-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-14-11-16(20-26-14)12-19(23)21-9-4-6-17(13-21)27(24,25)22-10-8-15-5-2-3-7-18(15)22/h2-3,5,7,11,17H,4,6,8-10,12-13H2,1H3/t17-/m1/s1.
What are the key properties of 1-[(3R)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone?
1-[(3R)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone has a molecular weight of 389.48 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone is sourced from PubChem (CID 97343688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).