3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one

C21H26N2O3 — CID 74249946

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one
SMILESCc1noc(C)c1CCC(=O)N1CCC2(CC1)c1ccccc1CC2O
InChIInChI=1S/C21H26N2O3/c1-14-17(15(2)26-22-14)7-8-20(25)23-11-9-21(10-12-23)18-6-4-3-5-16(18)13-19(21)24/h3-6,19,24H,7-13H2,1-2H3
InChIKeyHTRCDBXBDRCUKK-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.70
Rot. Bonds3

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one

3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one (PubChem CID 74249946) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one
PubChem CID74249946
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one
SMILESCc1noc(C)c1CCC(=O)N1CCC2(CC1)c1ccccc1CC2O
InChIInChI=1S/C21H26N2O3/c1-14-17(15(2)26-22-14)7-8-20(25)23-11-9-21(10-12-23)18-6-4-3-5-16(18)13-19(21)24/h3-6,19,24H,7-13H2,1-2H3
InChIKeyHTRCDBXBDRCUKK-UHFFFAOYSA-N
XLogP2.70
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)pent-3-en-1-one
CID 56889620
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CID 95726493
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]propan-1-one
CID 97210246
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]propan-1-one
CID 70776664
1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-4-(tetrazol-1-yl)butan-1-one
CID 56894938
[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(5-propyl-1,2-oxazol-4-yl)methanone
CID 95723009
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-hydroxy-4-(hydroxymethyl)azepan-1-yl]propan-1-one
CID 56908437
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4S)-4-hydroxy-4-(hydroxymethyl)azepan-1-yl]propan-1-one
CID 95723108
ethyl 4-[(2-chlorophenyl)methyl]-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]piperidine-4-carboxylate
CID 25308162
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one
CID 71707666
1-(4-benzyl-6-hydroxy-1,4-diazepan-1-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
CID 72878121
(2R)-1'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 99953645

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one (CID 74249946) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one is Cc1noc(C)c1CCC(=O)N1CCC2(CC1)c1ccccc1CC2O.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one?
The InChIKey is HTRCDBXBDRCUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-14-17(15(2)26-22-14)7-8-20(25)23-11-9-21(10-12-23)18-6-4-3-5-16(18)13-19(21)24/h3-6,19,24H,7-13H2,1-2H3.
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one has a molecular weight of 354.45 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one is sourced from PubChem (CID 74249946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).