[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(2,5-dimethyl-1,3-oxazol-4-yl)methanone

C19H23N3O4S — CID 126807446

IUPAC[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(2,5-dimethyl-1,3-oxazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCCC(S(=O)(=O)N3CCc4ccccc43)C2)c(C)o1
InChIInChI=1S/C19H23N3O4S/c1-13-18(20-14(2)26-13)19(23)21-10-5-7-16(12-21)27(24,25)22-11-9-15-6-3-4-8-17(15)22/h3-4,6,8,16H,5,7,9-12H2,1-2H3
InChIKeyWCQDLJLSBHIWON-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.29
Rot. Bonds3

About [3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(2,5-dimethyl-1,3-oxazol-4-yl)methanone

[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(2,5-dimethyl-1,3-oxazol-4-yl)methanone (PubChem CID 126807446) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is [3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(2,5-dimethyl-1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(2,5-dimethyl-1,3-oxazol-4-yl)methanone
PubChem CID126807446
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(2,5-dimethyl-1,3-oxazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCCC(S(=O)(=O)N3CCc4ccccc43)C2)c(C)o1
InChIInChI=1S/C19H23N3O4S/c1-13-18(20-14(2)26-13)19(23)21-10-5-7-16(12-21)27(24,25)22-11-9-15-6-3-4-8-17(15)22/h3-4,6,8,16H,5,7,9-12H2,1-2H3
InChIKeyWCQDLJLSBHIWON-UHFFFAOYSA-N
XLogP2.29
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 97343610
[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 126813423
1-[(3R)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone
CID 97343688
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2,5-dimethylpyrazol-3-yl)piperidine-1-carboxamide
CID 75473861
1-[(3S)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-2-ethoxyethanone
CID 97343625
5-[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 133455740
1-[(3S)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone
CID 97343704
[3-(2,3-dihydroindol-1-ylsulfonyl)azetidin-1-yl]-pyridin-2-ylmethanone
CID 75474114
1-(1-pyridin-2-ylpiperidin-3-yl)sulfonyl-2,3-dihydroindole
CID 91650455
4-[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-5-methylquinazoline
CID 133455730
2-[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-1,3-benzothiazole
CID 133455687
N-[[1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 71684875

Frequently Asked Questions

What is the IUPAC name of [3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(2,5-dimethyl-1,3-oxazol-4-yl)methanone?
The IUPAC name of [3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(2,5-dimethyl-1,3-oxazol-4-yl)methanone (CID 126807446) is [3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(2,5-dimethyl-1,3-oxazol-4-yl)methanone.
What is the SMILES notation for [3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(2,5-dimethyl-1,3-oxazol-4-yl)methanone?
The canonical SMILES for [3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(2,5-dimethyl-1,3-oxazol-4-yl)methanone is Cc1nc(C(=O)N2CCCC(S(=O)(=O)N3CCc4ccccc43)C2)c(C)o1.
What is the InChIKey of [3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(2,5-dimethyl-1,3-oxazol-4-yl)methanone?
The InChIKey is WCQDLJLSBHIWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-13-18(20-14(2)26-13)19(23)21-10-5-7-16(12-21)27(24,25)22-11-9-15-6-3-4-8-17(15)22/h3-4,6,8,16H,5,7,9-12H2,1-2H3.
What are the key properties of [3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(2,5-dimethyl-1,3-oxazol-4-yl)methanone?
[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(2,5-dimethyl-1,3-oxazol-4-yl)methanone has a molecular weight of 389.48 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(2,5-dimethyl-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 126807446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).