[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 1-methylindole-3-carboxylate

C19H17N3O4 — CID 8817550

IUPAC[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 1-methylindole-3-carboxylate
SMILESCc1cc(-c2nnc(COC(=O)c3cn(C)c4ccccc34)o2)c(C)o1
InChIInChI=1S/C19H17N3O4/c1-11-8-14(12(2)25-11)18-21-20-17(26-18)10-24-19(23)15-9-22(3)16-7-5-4-6-13(15)16/h4-9H,10H2,1-3H3
InChIKeyQHAZCHZCZXYXJI-UHFFFAOYSA-N
MW351.36 g/mol
LogP3.80
Rot. Bonds4

About [5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 1-methylindole-3-carboxylate

[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 1-methylindole-3-carboxylate (PubChem CID 8817550) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is [5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 1-methylindole-3-carboxylate.

Molecular Properties

Compound Name[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 1-methylindole-3-carboxylate
PubChem CID8817550
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 1-methylindole-3-carboxylate
SMILESCc1cc(-c2nnc(COC(=O)c3cn(C)c4ccccc34)o2)c(C)o1
InChIInChI=1S/C19H17N3O4/c1-11-8-14(12(2)25-11)18-21-20-17(26-18)10-24-19(23)15-9-22(3)16-7-5-4-6-13(15)16/h4-9H,10H2,1-3H3
InChIKeyQHAZCHZCZXYXJI-UHFFFAOYSA-N
XLogP3.80
TPSA83.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 1-methylindole-3-carboxylate with MolForge

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Related Compounds

(5-amino-1,3,4-oxadiazol-2-yl)methyl 2-methyl-1-oxoisoquinoline-4-carboxylate
CID 166334195
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 1-benzylindole-3-carboxylate
CID 56810356
(3-methylquinoxalin-2-yl)methyl 1-methylindole-3-carboxylate
CID 39965742
[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate
CID 8629902
[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 2,5-dimethylfuran-3-carboxylate
CID 16531522
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-methylindole-3-carboxylate
CID 8816511
(6-methylimidazo[1,2-a]pyridin-2-yl)methyl 1-methylindole-3-carboxylate
CID 9380138
[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-methylquinoline-4-carboxylate
CID 2484445
2-(bromomethyl)-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole
CID 81222711
[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate
CID 47007556
(5-phenyl-1,3-oxazol-2-yl)methyl 2,5-dimethylfuran-3-carboxylate
CID 8861226
chloro 1-methylindole-3-carboxylate
CID 69132264

Frequently Asked Questions

What is the IUPAC name of [5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 1-methylindole-3-carboxylate?
The IUPAC name of [5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 1-methylindole-3-carboxylate (CID 8817550) is [5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 1-methylindole-3-carboxylate.
What is the SMILES notation for [5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 1-methylindole-3-carboxylate?
The canonical SMILES for [5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 1-methylindole-3-carboxylate is Cc1cc(-c2nnc(COC(=O)c3cn(C)c4ccccc34)o2)c(C)o1.
What is the InChIKey of [5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 1-methylindole-3-carboxylate?
The InChIKey is QHAZCHZCZXYXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-11-8-14(12(2)25-11)18-21-20-17(26-18)10-24-19(23)15-9-22(3)16-7-5-4-6-13(15)16/h4-9H,10H2,1-3H3.
What are the key properties of [5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 1-methylindole-3-carboxylate?
[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 1-methylindole-3-carboxylate has a molecular weight of 351.36 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 1-methylindole-3-carboxylate is sourced from PubChem (CID 8817550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).