methyl 5-[1-(2,2-dimethylpropanoyloxymethyl)-5-methoxyindole-3-carbonyl]-1,3,4-oxadiazole-2-carboxylate

C20H21N3O7 — CID 139497282

IUPACmethyl 5-[1-(2,2-dimethylpropanoyloxymethyl)-5-methoxyindole-3-carbonyl]-1,3,4-oxadiazole-2-carboxylate
SMILESCOC(=O)c1nnc(C(=O)c2cn(COC(=O)C(C)(C)C)c3ccc(OC)cc23)o1
InChIInChI=1S/C20H21N3O7/c1-20(2,3)19(26)29-10-23-9-13(12-8-11(27-4)6-7-14(12)23)15(24)16-21-22-17(30-16)18(25)28-5/h6-9H,10H2,1-5H3
InChIKeyYIAAEFQIYSXBOG-UHFFFAOYSA-N
MW415.40 g/mol
LogP2.60
Rot. Bonds6

About methyl 5-[1-(2,2-dimethylpropanoyloxymethyl)-5-methoxyindole-3-carbonyl]-1,3,4-oxadiazole-2-carboxylate

methyl 5-[1-(2,2-dimethylpropanoyloxymethyl)-5-methoxyindole-3-carbonyl]-1,3,4-oxadiazole-2-carboxylate (PubChem CID 139497282) has the molecular formula C20H21N3O7 and a molecular weight of 415.40 g/mol. Its IUPAC name is methyl 5-[1-(2,2-dimethylpropanoyloxymethyl)-5-methoxyindole-3-carbonyl]-1,3,4-oxadiazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-(2,2-dimethylpropanoyloxymethyl)-5-methoxyindole-3-carbonyl]-1,3,4-oxadiazole-2-carboxylate
PubChem CID139497282
Molecular FormulaC20H21N3O7
Molecular Weight415.40 g/mol
Exact Mass415.14
IUPAC Namemethyl 5-[1-(2,2-dimethylpropanoyloxymethyl)-5-methoxyindole-3-carbonyl]-1,3,4-oxadiazole-2-carboxylate
SMILESCOC(=O)c1nnc(C(=O)c2cn(COC(=O)C(C)(C)C)c3ccc(OC)cc23)o1
InChIInChI=1S/C20H21N3O7/c1-20(2,3)19(26)29-10-23-9-13(12-8-11(27-4)6-7-14(12)23)15(24)16-21-22-17(30-16)18(25)28-5/h6-9H,10H2,1-5H3
InChIKeyYIAAEFQIYSXBOG-UHFFFAOYSA-N
XLogP2.60
TPSA122.75 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.40
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze methyl 5-[1-(2,2-dimethylpropanoyloxymethyl)-5-methoxyindole-3-carbonyl]-1,3,4-oxadiazole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[1-(2,2-dimethylpropanoyloxymethyl)-6-fluoroindole-3-carbonyl]-1,3-thiazole-4-carboxylate
CID 139497286
2,2-dimethylpropyl 5-methoxy-1-propylindole-3-carboxylate
CID 141093705
[1-[(2,4-dichlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methanone
CID 24969442
[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(5-phenylfuran-2-yl)methanone
CID 91115948
4-(3-acetyl-5-methoxyindol-1-yl)butan-2-one
CID 117098652
methyl 1-ethyl-5-methoxycarbonyloxyindole-3-carboxylate
CID 57297438
[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(3-phenyl-1,2,4-oxadiazol-5-yl)methanone
CID 67243198
methyl 5-(1H-indole-3-carbonyl)-1,3,4-oxadiazole-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1,3,4-thiadiazole-2-carboxylate;methyl 5-(5-methoxy-1H-indole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(5-methoxy-1H-indole-3-carbonyl)-1,3,4-thiadiazole-2-carboxylate;methyl 5-(5-methoxy-1-methylindole-3-carbonyl)-1,2,4-thiadiazole-3-carboxylate;methyl 5-(5-methoxy-1-methylindole-3-carbonyl)-1,3,4-thiadiazole-2-carboxylate
CID 159945271
N-(diaminomethylidene)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide;hydrochloride
CID 45264362
methyl 2-[1-[[1-(2-ethoxy-2-oxoethyl)triazol-4-yl]methyl]-5-methoxyindol-3-yl]-2-oxoacetate
CID 71054497
2-(1-ethyl-5-methoxyindol-3-yl)-2-oxo-N-propan-2-ylacetamide
CID 123864868
[1-[(4-chlorophenyl)methyl]-5-methoxyindol-3-yl]-(1,2-thiazol-3-yl)methanone
CID 67244660

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-(2,2-dimethylpropanoyloxymethyl)-5-methoxyindole-3-carbonyl]-1,3,4-oxadiazole-2-carboxylate?
The IUPAC name of methyl 5-[1-(2,2-dimethylpropanoyloxymethyl)-5-methoxyindole-3-carbonyl]-1,3,4-oxadiazole-2-carboxylate (CID 139497282) is methyl 5-[1-(2,2-dimethylpropanoyloxymethyl)-5-methoxyindole-3-carbonyl]-1,3,4-oxadiazole-2-carboxylate.
What is the SMILES notation for methyl 5-[1-(2,2-dimethylpropanoyloxymethyl)-5-methoxyindole-3-carbonyl]-1,3,4-oxadiazole-2-carboxylate?
The canonical SMILES for methyl 5-[1-(2,2-dimethylpropanoyloxymethyl)-5-methoxyindole-3-carbonyl]-1,3,4-oxadiazole-2-carboxylate is COC(=O)c1nnc(C(=O)c2cn(COC(=O)C(C)(C)C)c3ccc(OC)cc23)o1.
What is the InChIKey of methyl 5-[1-(2,2-dimethylpropanoyloxymethyl)-5-methoxyindole-3-carbonyl]-1,3,4-oxadiazole-2-carboxylate?
The InChIKey is YIAAEFQIYSXBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O7/c1-20(2,3)19(26)29-10-23-9-13(12-8-11(27-4)6-7-14(12)23)15(24)16-21-22-17(30-16)18(25)28-5/h6-9H,10H2,1-5H3.
What are the key properties of methyl 5-[1-(2,2-dimethylpropanoyloxymethyl)-5-methoxyindole-3-carbonyl]-1,3,4-oxadiazole-2-carboxylate?
methyl 5-[1-(2,2-dimethylpropanoyloxymethyl)-5-methoxyindole-3-carbonyl]-1,3,4-oxadiazole-2-carboxylate has a molecular weight of 415.40 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-(2,2-dimethylpropanoyloxymethyl)-5-methoxyindole-3-carbonyl]-1,3,4-oxadiazole-2-carboxylate is sourced from PubChem (CID 139497282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).