methyl 5-[1-[(2-amino-3-methylbutanoyl)oxymethyl]-5-fluoroindole-3-carbonyl]-1,2,4-oxadiazole-3-carboxylate

C19H19FN4O6 — CID 139497444

IUPACmethyl 5-[1-[(2-amino-3-methylbutanoyl)oxymethyl]-5-fluoroindole-3-carbonyl]-1,2,4-oxadiazole-3-carboxylate
SMILESCOC(=O)c1noc(C(=O)c2cn(COC(=O)C(N)C(C)C)c3ccc(F)cc23)n1
InChIInChI=1S/C19H19FN4O6/c1-9(2)14(21)18(26)29-8-24-7-12(11-6-10(20)4-5-13(11)24)15(25)17-22-16(23-30-17)19(27)28-3/h4-7,9,14H,8,21H2,1-3H3
InChIKeyRVQSHHWOXMCRLS-UHFFFAOYSA-N
MW418.38 g/mol
LogP1.66
Rot. Bonds7

About methyl 5-[1-[(2-amino-3-methylbutanoyl)oxymethyl]-5-fluoroindole-3-carbonyl]-1,2,4-oxadiazole-3-carboxylate

methyl 5-[1-[(2-amino-3-methylbutanoyl)oxymethyl]-5-fluoroindole-3-carbonyl]-1,2,4-oxadiazole-3-carboxylate (PubChem CID 139497444) has the molecular formula C19H19FN4O6 and a molecular weight of 418.38 g/mol. Its IUPAC name is methyl 5-[1-[(2-amino-3-methylbutanoyl)oxymethyl]-5-fluoroindole-3-carbonyl]-1,2,4-oxadiazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-[(2-amino-3-methylbutanoyl)oxymethyl]-5-fluoroindole-3-carbonyl]-1,2,4-oxadiazole-3-carboxylate
PubChem CID139497444
Molecular FormulaC19H19FN4O6
Molecular Weight418.38 g/mol
Exact Mass418.13
IUPAC Namemethyl 5-[1-[(2-amino-3-methylbutanoyl)oxymethyl]-5-fluoroindole-3-carbonyl]-1,2,4-oxadiazole-3-carboxylate
SMILESCOC(=O)c1noc(C(=O)c2cn(COC(=O)C(N)C(C)C)c3ccc(F)cc23)n1
InChIInChI=1S/C19H19FN4O6/c1-9(2)14(21)18(26)29-8-24-7-12(11-6-10(20)4-5-13(11)24)15(25)17-22-16(23-30-17)19(27)28-3/h4-7,9,14H,8,21H2,1-3H3
InChIKeyRVQSHHWOXMCRLS-UHFFFAOYSA-N
XLogP1.66
TPSA139.54 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.38
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze methyl 5-[1-[(2-amino-3-methylbutanoyl)oxymethyl]-5-fluoroindole-3-carbonyl]-1,2,4-oxadiazole-3-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

(5-Fluoro-1-methylindol-3-yl)-[3-(5-fluoro-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanone
CID 155806217
[1-(2-Morpholin-4-ylethyl)indol-3-yl]-(3-phenyl-1,2,4-oxadiazol-5-yl)methanone
CID 24851007
(3-Benzyl-1,2,4-oxadiazol-5-yl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone
CID 24851062
(1-Methylindol-3-yl)-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methanone
CID 155806220
[3-(5-Fluoro-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-(1-methylindol-3-yl)methanone
CID 155810944
(5-fluoro-1-methylindol-3-yl)-[3-(1H-indol-3-yl)-1,2,4-oxadiazol-5-yl]methanone
CID 155809388
methyl 3-[3-[2-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-oxo-acetyl]-4-fluoro-1H-indol-7-yl]-1,2,4-oxadiazole-5-carboxylate
CID 507951
1-(1H-indol-3-yl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]ethanone
CID 56783282
5-(1H-indol-3-ylmethyl)-3-(2-methoxypropan-2-yl)-1,2,4-oxadiazole
CID 72106705
[3-(5-fluoro-1H-indol-3-yl)-1,2,4-oxadiazol-5-yl]-(5-fluoro-1-methylindol-3-yl)methanone
CID 162395392
[3-(5-fluoro-1H-indol-3-yl)-1,2,4-oxadiazol-5-yl]-(1-methylindol-3-yl)methanone
CID 162395410
[3-(5-Fluoro-1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]-(1-methylpyrrolo[2,3-b]pyridin-3-yl)methanone
CID 164946190

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-[(2-amino-3-methylbutanoyl)oxymethyl]-5-fluoroindole-3-carbonyl]-1,2,4-oxadiazole-3-carboxylate?
The IUPAC name of methyl 5-[1-[(2-amino-3-methylbutanoyl)oxymethyl]-5-fluoroindole-3-carbonyl]-1,2,4-oxadiazole-3-carboxylate (CID 139497444) is methyl 5-[1-[(2-amino-3-methylbutanoyl)oxymethyl]-5-fluoroindole-3-carbonyl]-1,2,4-oxadiazole-3-carboxylate.
What is the SMILES notation for methyl 5-[1-[(2-amino-3-methylbutanoyl)oxymethyl]-5-fluoroindole-3-carbonyl]-1,2,4-oxadiazole-3-carboxylate?
The canonical SMILES for methyl 5-[1-[(2-amino-3-methylbutanoyl)oxymethyl]-5-fluoroindole-3-carbonyl]-1,2,4-oxadiazole-3-carboxylate is COC(=O)c1noc(C(=O)c2cn(COC(=O)C(N)C(C)C)c3ccc(F)cc23)n1.
What is the InChIKey of methyl 5-[1-[(2-amino-3-methylbutanoyl)oxymethyl]-5-fluoroindole-3-carbonyl]-1,2,4-oxadiazole-3-carboxylate?
The InChIKey is RVQSHHWOXMCRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O6/c1-9(2)14(21)18(26)29-8-24-7-12(11-6-10(20)4-5-13(11)24)15(25)17-22-16(23-30-17)19(27)28-3/h4-7,9,14H,8,21H2,1-3H3.
What are the key properties of methyl 5-[1-[(2-amino-3-methylbutanoyl)oxymethyl]-5-fluoroindole-3-carbonyl]-1,2,4-oxadiazole-3-carboxylate?
methyl 5-[1-[(2-amino-3-methylbutanoyl)oxymethyl]-5-fluoroindole-3-carbonyl]-1,2,4-oxadiazole-3-carboxylate has a molecular weight of 418.38 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-[(2-amino-3-methylbutanoyl)oxymethyl]-5-fluoroindole-3-carbonyl]-1,2,4-oxadiazole-3-carboxylate is sourced from PubChem (CID 139497444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).