methyl 1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate

C19H23N3O5 — CID 55554532

IUPACmethyl 1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate
SMILESCOC(=O)C1CC2CCCCC2N1C(=O)CCc1nc(-c2ccco2)no1
InChIInChI=1S/C19H23N3O5/c1-25-19(24)14-11-12-5-2-3-6-13(12)22(14)17(23)9-8-16-20-18(21-27-16)15-7-4-10-26-15/h4,7,10,12-14H,2-3,5-6,8-9,11H2,1H3
InChIKeyZYEFGGXYHUEDJK-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.59
Rot. Bonds5

About methyl 1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate

methyl 1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate (PubChem CID 55554532) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is methyl 1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate
PubChem CID55554532
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Namemethyl 1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate
SMILESCOC(=O)C1CC2CCCCC2N1C(=O)CCc1nc(-c2ccco2)no1
InChIInChI=1S/C19H23N3O5/c1-25-19(24)14-11-12-5-2-3-6-13(12)22(14)17(23)9-8-16-20-18(21-27-16)15-7-4-10-26-15/h4,7,10,12-14H,2-3,5-6,8-9,11H2,1H3
InChIKeyZYEFGGXYHUEDJK-UHFFFAOYSA-N
XLogP2.59
TPSA98.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl (2R)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxylate
CID 37258274
1-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 95573579
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 119645557
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-1-piperidin-1-ylpropan-1-one
CID 36656689
N-[(2-cyclopentyloxyphenyl)methyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55810269
methyl 1-[(E)-3-(furan-2-yl)prop-2-enoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate
CID 51112298
(2S,3aS,7aR)-1-[3-(furan-2-yl)propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 124836421
(2S,3aR,7aR)-1-[3-(furan-2-yl)propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 124836420
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 120815986
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-1-(2-methylpiperazin-1-yl)propan-1-one
CID 119471174
1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]-5-methylpiperidine-3-carboxylic acid
CID 122118931
methyl 1-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate
CID 56550614

Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate?
The IUPAC name of methyl 1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate (CID 55554532) is methyl 1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate.
What is the SMILES notation for methyl 1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate?
The canonical SMILES for methyl 1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate is COC(=O)C1CC2CCCCC2N1C(=O)CCc1nc(-c2ccco2)no1.
What is the InChIKey of methyl 1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate?
The InChIKey is ZYEFGGXYHUEDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-25-19(24)14-11-12-5-2-3-6-13(12)22(14)17(23)9-8-16-20-18(21-27-16)15-7-4-10-26-15/h4,7,10,12-14H,2-3,5-6,8-9,11H2,1H3.
What are the key properties of methyl 1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate?
methyl 1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate has a molecular weight of 373.41 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate is sourced from PubChem (CID 55554532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).