methyl 4-[[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]methyl]benzoate

C19H15N3O3 — CID 40694279

IUPACmethyl 4-[[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]methyl]benzoate
SMILESCOC(=O)c1ccc(Cn2c(-c3nnco3)cc3ccccc32)cc1
InChIInChI=1S/C19H15N3O3/c1-24-19(23)14-8-6-13(7-9-14)11-22-16-5-3-2-4-15(16)10-17(22)18-21-20-12-25-18/h2-10,12H,11H2,1H3
InChIKeyAPQUDOMQZHWVJO-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.53
Rot. Bonds4

About methyl 4-[[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]methyl]benzoate

methyl 4-[[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]methyl]benzoate (PubChem CID 40694279) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is methyl 4-[[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]methyl]benzoate
PubChem CID40694279
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC Namemethyl 4-[[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]methyl]benzoate
SMILESCOC(=O)c1ccc(Cn2c(-c3nnco3)cc3ccccc32)cc1
InChIInChI=1S/C19H15N3O3/c1-24-19(23)14-8-6-13(7-9-14)11-22-16-5-3-2-4-15(16)10-17(22)18-21-20-12-25-18/h2-10,12H,11H2,1H3
InChIKeyAPQUDOMQZHWVJO-UHFFFAOYSA-N
XLogP3.53
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[(4-methylphenyl)methyl]indol-2-yl]-1,3,4-oxadiazole
CID 40694204
2-[1-[(3,4-dichlorophenyl)methyl]indol-2-yl]-1,3,4-oxadiazole
CID 41160220
ethyl 2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]acetate
CID 40694221
2-[1-[(2,4-dichlorophenyl)methyl]indol-2-yl]-1,3,4-oxadiazole
CID 41160222
methyl 2-(1-benzylindol-2-yl)-3-methylimidazo[4,5-b]pyridine-6-carboxylate
CID 122702782
1-(2,3-dihydroindol-1-yl)-2-[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone
CID 16836133
methyl 4-(1,2,4-triazol-4-ylmethyl)benzoate
CID 56737284
methyl 1-benzyl-2-methylbenzimidazole-5-carboxylate
CID 1070610
ethyl 2-[6-chloro-2-(1,3,4-oxadiazol-2-yl)indol-1-yl]acetate
CID 176656513
methyl 3-[(5-chloro-2-phenylindol-1-yl)methyl]benzoate
CID 67684782
methyl 4-[[2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]methyl]benzoate
CID 59172140
methyl 2-chloro-1-[(4-fluorophenyl)methyl]benzimidazole-5-carboxylate
CID 67276827

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]methyl]benzoate?
The IUPAC name of methyl 4-[[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]methyl]benzoate (CID 40694279) is methyl 4-[[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]methyl]benzoate.
What is the SMILES notation for methyl 4-[[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]methyl]benzoate?
The canonical SMILES for methyl 4-[[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]methyl]benzoate is COC(=O)c1ccc(Cn2c(-c3nnco3)cc3ccccc32)cc1.
What is the InChIKey of methyl 4-[[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]methyl]benzoate?
The InChIKey is APQUDOMQZHWVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c1-24-19(23)14-8-6-13(7-9-14)11-22-16-5-3-2-4-15(16)10-17(22)18-21-20-12-25-18/h2-10,12H,11H2,1H3.
What are the key properties of methyl 4-[[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]methyl]benzoate?
methyl 4-[[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]methyl]benzoate has a molecular weight of 333.35 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(1,3,4-oxadiazol-2-yl)indol-1-yl]methyl]benzoate is sourced from PubChem (CID 40694279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).