2-(2-methyl-1H-indol-3-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide

C20H18N4O2 — CID 56755966

IUPAC2-(2-methyl-1H-indol-3-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
SMILESCc1[nH]c2ccccc2c1CC(=O)NCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C20H18N4O2/c1-13-16(15-9-5-6-10-17(15)22-13)11-18(25)21-12-19-23-24-20(26-19)14-7-3-2-4-8-14/h2-10,22H,11-12H2,1H3,(H,21,25)
InChIKeyOATKCPBVWJLSOB-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.39
Rot. Bonds5

About 2-(2-methyl-1H-indol-3-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide

2-(2-methyl-1H-indol-3-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide (PubChem CID 56755966) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-(2-methyl-1H-indol-3-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-methyl-1H-indol-3-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
PubChem CID56755966
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name2-(2-methyl-1H-indol-3-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
SMILESCc1[nH]c2ccccc2c1CC(=O)NCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C20H18N4O2/c1-13-16(15-9-5-6-10-17(15)22-13)11-18(25)21-12-19-23-24-20(26-19)14-7-3-2-4-8-14/h2-10,22H,11-12H2,1H3,(H,21,25)
InChIKeyOATKCPBVWJLSOB-UHFFFAOYSA-N
XLogP3.39
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylsulfonylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 86286746
2-(2-methyl-1H-indol-3-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 56738399
3-(1H-benzimidazol-2-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide
CID 77081934
2-(2-methyl-1H-indol-3-yl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide
CID 137200070
N-(furan-2-ylmethyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31848406
2-(2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide
CID 31852687
3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide
CID 110408526
2-[4-[[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]methyl]triazol-1-yl]acetic acid
CID 120697865
N-ethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide
CID 46249412
2-(2-methyl-1H-indol-3-yl)-N-(2-methylprop-2-enyl)acetamide
CID 114619029
2-(5-chloro-1H-indol-3-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 110606864
N-[(2-methoxyphenyl)methyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31886769

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1H-indol-3-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(2-methyl-1H-indol-3-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide (CID 56755966) is 2-(2-methyl-1H-indol-3-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-methyl-1H-indol-3-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(2-methyl-1H-indol-3-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide is Cc1[nH]c2ccccc2c1CC(=O)NCc1nnc(-c2ccccc2)o1.
What is the InChIKey of 2-(2-methyl-1H-indol-3-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
The InChIKey is OATKCPBVWJLSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-13-16(15-9-5-6-10-17(15)22-13)11-18(25)21-12-19-23-24-20(26-19)14-7-3-2-4-8-14/h2-10,22H,11-12H2,1H3,(H,21,25).
What are the key properties of 2-(2-methyl-1H-indol-3-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
2-(2-methyl-1H-indol-3-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide has a molecular weight of 346.39 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1H-indol-3-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 56755966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).