2-[1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine]-6-yl]oxy-N,N-dimethylacetamide

C23H31N3O4 — CID 146046991

IUPAC2-[1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine]-6-yl]oxy-N,N-dimethylacetamide
SMILESCc1noc(C)c1CN1CCC2(CC1)OCCc1cc(OCC(=O)N(C)C)ccc12
InChIInChI=1S/C23H31N3O4/c1-16-20(17(2)30-24-16)14-26-10-8-23(9-11-26)21-6-5-19(13-18(21)7-12-29-23)28-15-22(27)25(3)4/h5-6,13H,7-12,14-15H2,1-4H3
InChIKeyRCHADUZAMZGEOX-UHFFFAOYSA-N
MW413.52 g/mol
LogP2.82
Rot. Bonds5

About 2-[1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine]-6-yl]oxy-N,N-dimethylacetamide

2-[1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine]-6-yl]oxy-N,N-dimethylacetamide (PubChem CID 146046991) has the molecular formula C23H31N3O4 and a molecular weight of 413.52 g/mol. Its IUPAC name is 2-[1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine]-6-yl]oxy-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine]-6-yl]oxy-N,N-dimethylacetamide
PubChem CID146046991
Molecular FormulaC23H31N3O4
Molecular Weight413.52 g/mol
Exact Mass413.23
IUPAC Name2-[1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine]-6-yl]oxy-N,N-dimethylacetamide
SMILESCc1noc(C)c1CN1CCC2(CC1)OCCc1cc(OCC(=O)N(C)C)ccc12
InChIInChI=1S/C23H31N3O4/c1-16-20(17(2)30-24-16)14-26-10-8-23(9-11-26)21-6-5-19(13-18(21)7-12-29-23)28-15-22(27)25(3)4/h5-6,13H,7-12,14-15H2,1-4H3
InChIKeyRCHADUZAMZGEOX-UHFFFAOYSA-N
XLogP2.82
TPSA68.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]phenoxy]-N,N-dimethylacetamide
CID 30860068
4-[(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methyl]-2-methyl-1H-pyrimidin-6-one
CID 163313269
2-[(1R)-1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N,N-dimethylacetamide
CID 97375836
2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]methoxy]-N,N-dimethylacetamide
CID 133142947
[2-(dimethylamino)-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 7625862
2-[(5S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-N,N-dimethylacetamide
CID 97482371
6-[(2-methyl-1,3-oxazol-4-yl)methoxy]spiro[3,4-dihydroisochromene-1,4'-piperidine]
CID 146041352
2-[[(7S)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methoxy]-N,N-dimethylacetamide
CID 124804983
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]acetamide
CID 100731268
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]acetamide
CID 91631115
6-methoxy-1'-(3-methyl-2-pyridinyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]
CID 135103863
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 34782912

Frequently Asked Questions

What is the IUPAC name of 2-[1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine]-6-yl]oxy-N,N-dimethylacetamide?
The IUPAC name of 2-[1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine]-6-yl]oxy-N,N-dimethylacetamide (CID 146046991) is 2-[1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine]-6-yl]oxy-N,N-dimethylacetamide.
What is the SMILES notation for 2-[1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine]-6-yl]oxy-N,N-dimethylacetamide?
The canonical SMILES for 2-[1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine]-6-yl]oxy-N,N-dimethylacetamide is Cc1noc(C)c1CN1CCC2(CC1)OCCc1cc(OCC(=O)N(C)C)ccc12.
What is the InChIKey of 2-[1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine]-6-yl]oxy-N,N-dimethylacetamide?
The InChIKey is RCHADUZAMZGEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4/c1-16-20(17(2)30-24-16)14-26-10-8-23(9-11-26)21-6-5-19(13-18(21)7-12-29-23)28-15-22(27)25(3)4/h5-6,13H,7-12,14-15H2,1-4H3.
What are the key properties of 2-[1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine]-6-yl]oxy-N,N-dimethylacetamide?
2-[1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine]-6-yl]oxy-N,N-dimethylacetamide has a molecular weight of 413.52 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine]-6-yl]oxy-N,N-dimethylacetamide is sourced from PubChem (CID 146046991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).