(5-methyl-1,3,4-oxadiazol-2-yl)methyl 1-benzylindole-3-carboxylate

C20H17N3O3 — CID 56810356

IUPAC(5-methyl-1,3,4-oxadiazol-2-yl)methyl 1-benzylindole-3-carboxylate
SMILESCc1nnc(COC(=O)c2cn(Cc3ccccc3)c3ccccc23)o1
InChIInChI=1S/C20H17N3O3/c1-14-21-22-19(26-14)13-25-20(24)17-12-23(11-15-7-3-2-4-8-15)18-10-6-5-9-16(17)18/h2-10,12H,11,13H2,1H3
InChIKeyIMZDFGMJPNGOIX-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.74
Rot. Bonds5

About (5-methyl-1,3,4-oxadiazol-2-yl)methyl 1-benzylindole-3-carboxylate

(5-methyl-1,3,4-oxadiazol-2-yl)methyl 1-benzylindole-3-carboxylate (PubChem CID 56810356) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is (5-methyl-1,3,4-oxadiazol-2-yl)methyl 1-benzylindole-3-carboxylate.

Molecular Properties

Compound Name(5-methyl-1,3,4-oxadiazol-2-yl)methyl 1-benzylindole-3-carboxylate
PubChem CID56810356
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name(5-methyl-1,3,4-oxadiazol-2-yl)methyl 1-benzylindole-3-carboxylate
SMILESCc1nnc(COC(=O)c2cn(Cc3ccccc3)c3ccccc23)o1
InChIInChI=1S/C20H17N3O3/c1-14-21-22-19(26-14)13-25-20(24)17-12-23(11-15-7-3-2-4-8-15)18-10-6-5-9-16(17)18/h2-10,12H,11,13H2,1H3
InChIKeyIMZDFGMJPNGOIX-UHFFFAOYSA-N
XLogP3.74
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5-methyl-1,3,4-oxadiazol-2-yl)methyl 1-benzylindole-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

2-(dimethylamino)ethyl 1-benzylindole-3-carboxylate
CID 657635
2-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indol-3-yl]acetic acid
CID 28783031
(2,3,4,5,6-pentafluorophenyl) 1-benzylindole-3-carboxylate
CID 16681599
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-propan-2-ylquinoline-4-carboxylate
CID 18199717
[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 1-methylindole-3-carboxylate
CID 8817550
1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-3-sulfonyl chloride
CID 107915023
ethyl (E)-4-(1-benzylindol-3-yl)-4-hydroxy-2-oxobut-3-enoate
CID 20846074
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 8820337
(1-methylpiperidin-2-yl)methyl 1-benzylindole-3-carboxylate
CID 19891962
methyl 1-[(4-bromophenyl)methyl]indole-3-carboxylate
CID 973154
[2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 1-benzylindole-3-carboxylate
CID 55442289
2-[(1-benzylindole-3-carbonyl)amino]propanediamide
CID 31404077

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,3,4-oxadiazol-2-yl)methyl 1-benzylindole-3-carboxylate?
The IUPAC name of (5-methyl-1,3,4-oxadiazol-2-yl)methyl 1-benzylindole-3-carboxylate (CID 56810356) is (5-methyl-1,3,4-oxadiazol-2-yl)methyl 1-benzylindole-3-carboxylate.
What is the SMILES notation for (5-methyl-1,3,4-oxadiazol-2-yl)methyl 1-benzylindole-3-carboxylate?
The canonical SMILES for (5-methyl-1,3,4-oxadiazol-2-yl)methyl 1-benzylindole-3-carboxylate is Cc1nnc(COC(=O)c2cn(Cc3ccccc3)c3ccccc23)o1.
What is the InChIKey of (5-methyl-1,3,4-oxadiazol-2-yl)methyl 1-benzylindole-3-carboxylate?
The InChIKey is IMZDFGMJPNGOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-14-21-22-19(26-14)13-25-20(24)17-12-23(11-15-7-3-2-4-8-15)18-10-6-5-9-16(17)18/h2-10,12H,11,13H2,1H3.
What are the key properties of (5-methyl-1,3,4-oxadiazol-2-yl)methyl 1-benzylindole-3-carboxylate?
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 1-benzylindole-3-carboxylate has a molecular weight of 347.37 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,3,4-oxadiazol-2-yl)methyl 1-benzylindole-3-carboxylate is sourced from PubChem (CID 56810356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).