1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine

C21H29N3O — CID 134078054

IUPAC1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine
SMILESCc1noc(C)c1CN1CCC2(CC1)CC(N(C)C)c1ccccc12
InChIInChI=1S/C21H29N3O/c1-15-18(16(2)25-22-15)14-24-11-9-21(10-12-24)13-20(23(3)4)17-7-5-6-8-19(17)21/h5-8,20H,9-14H2,1-4H3
InChIKeyORHFWVOYPFGGKW-UHFFFAOYSA-N
MW339.48 g/mol
LogP3.83
Rot. Bonds3

About 1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine

1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine (PubChem CID 134078054) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is 1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine.

Molecular Properties

Compound Name1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine
PubChem CID134078054
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine
SMILESCc1noc(C)c1CN1CCC2(CC1)CC(N(C)C)c1ccccc12
InChIInChI=1S/C21H29N3O/c1-15-18(16(2)25-22-15)14-24-11-9-21(10-12-24)13-20(23(3)4)17-7-5-6-8-19(17)21/h5-8,20H,9-14H2,1-4H3
InChIKeyORHFWVOYPFGGKW-UHFFFAOYSA-N
XLogP3.83
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
(1R)-N,N-dimethyl-1'-(5-methylpyrimidin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine
CID 97400369
1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylspiro[1,2-benzothiazole-3,3'-pyrrolidine] 1,1-dioxide
CID 134076576
[4-anilino-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-(azetidin-1-yl)methanone
CID 155873936
(3S,5S)-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-pyrimidin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane
CID 124520565
4-[[(5R)-2-benzyl-2,9-diazaspiro[4.5]decan-9-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 97483058
3,5-dimethyl-4-[[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methyl]-1,2-oxazole
CID 165425432
N,N-dimethyl-2-[(1S)-1'-[(5-methylfuran-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97375833
2-(1,3-benzodioxol-5-yl)-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,7-diazaspiro[3.5]nonan-3-one
CID 97472986
3,5-dimethyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-1,2-oxazole
CID 157019503
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-phenylmorpholine
CID 51076931
(1R)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-1-phenylethanol
CID 95161589

Frequently Asked Questions

What is the IUPAC name of 1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine?
The IUPAC name of 1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine (CID 134078054) is 1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine.
What is the SMILES notation for 1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine?
The canonical SMILES for 1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine is Cc1noc(C)c1CN1CCC2(CC1)CC(N(C)C)c1ccccc12.
What is the InChIKey of 1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine?
The InChIKey is ORHFWVOYPFGGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-15-18(16(2)25-22-15)14-24-11-9-21(10-12-24)13-20(23(3)4)17-7-5-6-8-19(17)21/h5-8,20H,9-14H2,1-4H3.
What are the key properties of 1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine?
1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine has a molecular weight of 339.48 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine is sourced from PubChem (CID 134078054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).