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

C26H29N3O5S — CID 55438372

IUPAC[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
SMILESCc1noc(C)c1COc1ccccc1C(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21
InChIInChI=1S/C26H29N3O5S/c1-18-23(19(2)34-27-18)17-33-25-9-5-4-8-22(25)26(30)29-15-12-20-16-21(10-11-24(20)29)35(31,32)28-13-6-3-7-14-28/h4-5,8-11,16H,3,6-7,12-15,17H2,1-2H3
InChIKeyQBHZWBJVDJCGDU-UHFFFAOYSA-N
MW495.60 g/mol
LogP4.25
Rot. Bonds6

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

[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 55438372) has the molecular formula C26H29N3O5S and a molecular weight of 495.60 g/mol. Its IUPAC name is [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
PubChem CID55438372
Molecular FormulaC26H29N3O5S
Molecular Weight495.60 g/mol
Exact Mass495.18
IUPAC Name[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
SMILESCc1noc(C)c1COc1ccccc1C(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21
InChIInChI=1S/C26H29N3O5S/c1-18-23(19(2)34-27-18)17-33-25-9-5-4-8-22(25)26(30)29-15-12-20-16-21(10-11-24(20)29)35(31,32)28-13-6-3-7-14-28/h4-5,8-11,16H,3,6-7,12-15,17H2,1-2H3
InChIKeyQBHZWBJVDJCGDU-UHFFFAOYSA-N
XLogP4.25
TPSA92.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.60
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone
CID 46636226
[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanone
CID 25163427
[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-piperidin-1-ylmethanone
CID 112788083
(2,3-dimethoxyphenyl)-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 55438542
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 55872913
(2-piperidin-1-yl-3-pyridinyl)-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 55759909
(2-fluorophenyl)-(5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 17421426
furan-2-yl-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 17416161
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone
CID 55438375
1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 119355381
(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone
CID 55604073
2-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 55467016

Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone (CID 55438372) is [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone is Cc1noc(C)c1COc1ccccc1C(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21.
What is the InChIKey of [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is QBHZWBJVDJCGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O5S/c1-18-23(19(2)34-27-18)17-33-25-9-5-4-8-22(25)26(30)29-15-12-20-16-21(10-11-24(20)29)35(31,32)28-13-6-3-7-14-28/h4-5,8-11,16H,3,6-7,12-15,17H2,1-2H3.
What are the key properties of [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone?
[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 495.60 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 55438372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).