ethyl 2-[(3R)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]-1,3-oxazole-4-carboxylate

C19H21N3O4 — CID 95722141

IUPACethyl 2-[(3R)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(N2CCC[C@@]3(C2)C(=O)N(C)c2ccccc23)n1
InChIInChI=1S/C19H21N3O4/c1-3-25-16(23)14-11-26-18(20-14)22-10-6-9-19(12-22)13-7-4-5-8-15(13)21(2)17(19)24/h4-5,7-8,11H,3,6,9-10,12H2,1-2H3/t19-/m0/s1
InChIKeyKESQJERWRRVIPD-IBGZPJMESA-N
MW355.39 g/mol
LogP2.37
Rot. Bonds3

About ethyl 2-[(3R)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]-1,3-oxazole-4-carboxylate

ethyl 2-[(3R)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]-1,3-oxazole-4-carboxylate (PubChem CID 95722141) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is ethyl 2-[(3R)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(3R)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]-1,3-oxazole-4-carboxylate
PubChem CID95722141
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Nameethyl 2-[(3R)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(N2CCC[C@@]3(C2)C(=O)N(C)c2ccccc23)n1
InChIInChI=1S/C19H21N3O4/c1-3-25-16(23)14-11-26-18(20-14)22-10-6-9-19(12-22)13-7-4-5-8-15(13)21(2)17(19)24/h4-5,7-8,11H,3,6,9-10,12H2,1-2H3/t19-/m0/s1
InChIKeyKESQJERWRRVIPD-IBGZPJMESA-N
XLogP2.37
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(3-methoxy-3-methylpiperidin-1-yl)-1,3-oxazole-4-carboxylate
CID 107393013
ethyl 5-[[(3R)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]methyl]furan-2-carboxylate
CID 95710662
2-[(3R)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]acetamide
CID 95709226
(3R)-1'-(4-aminopyrimidin-2-yl)-1-methylspiro[indole-3,3'-piperidine]-2-one
CID 95715036
1'-butanoyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 53177130
1-methyl-1'-(pyrrolidine-1-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 97452604
1-methyl-1'-[2-(4-methylphenoxy)acetyl]spiro[indole-3,3'-piperidine]-2-one
CID 56893243
(3S)-1'-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]-1-methylspiro[indole-3,3'-piperidine]-2-one
CID 125162169
N-ethyl-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide
CID 53177203
1'-(cyclopentanecarbonyl)-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 53177159
(3S)-N-ethyl-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide
CID 95104040
1'-(2-hydroxy-4-methylpentanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 56919321

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3R)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-[(3R)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]-1,3-oxazole-4-carboxylate (CID 95722141) is ethyl 2-[(3R)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[(3R)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-[(3R)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(N2CCC[C@@]3(C2)C(=O)N(C)c2ccccc23)n1.
What is the InChIKey of ethyl 2-[(3R)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]-1,3-oxazole-4-carboxylate?
The InChIKey is KESQJERWRRVIPD-IBGZPJMESA-N. The full InChI is InChI=1S/C19H21N3O4/c1-3-25-16(23)14-11-26-18(20-14)22-10-6-9-19(12-22)13-7-4-5-8-15(13)21(2)17(19)24/h4-5,7-8,11H,3,6,9-10,12H2,1-2H3/t19-/m0/s1.
What are the key properties of ethyl 2-[(3R)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]-1,3-oxazole-4-carboxylate?
ethyl 2-[(3R)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]-1,3-oxazole-4-carboxylate has a molecular weight of 355.39 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3R)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 95722141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).