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

C19H17N5O2 — CID 56738399

IUPAC2-(2-methyl-1H-indol-3-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESCc1[nH]c2ccccc2c1CC(=O)NCc1nc(-c2cccnc2)no1
InChIInChI=1S/C19H17N5O2/c1-12-15(14-6-2-3-7-16(14)22-12)9-17(25)21-11-18-23-19(24-26-18)13-5-4-8-20-10-13/h2-8,10,22H,9,11H2,1H3,(H,21,25)
InChIKeyVTSSHGGXTCODFN-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.78
Rot. Bonds5

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

2-(2-methyl-1H-indol-3-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide (PubChem CID 56738399) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 2-(2-methyl-1H-indol-3-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-methyl-1H-indol-3-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
PubChem CID56738399
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name2-(2-methyl-1H-indol-3-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESCc1[nH]c2ccccc2c1CC(=O)NCc1nc(-c2cccnc2)no1
InChIInChI=1S/C19H17N5O2/c1-12-15(14-6-2-3-7-16(14)22-12)9-17(25)21-11-18-23-19(24-26-18)13-5-4-8-20-10-13/h2-8,10,22H,9,11H2,1H3,(H,21,25)
InChIKeyVTSSHGGXTCODFN-UHFFFAOYSA-N
XLogP2.78
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]pentanamide
CID 142672377
3-ethyl-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-indole-2-carboxamide
CID 70754814
2-(2-methyl-1H-indol-3-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 56755966
3-(azocan-1-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 46988239
N-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanamine;dihydrochloride
CID 54592854
methyl 2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79474655
2-(2-methyl-1H-indol-3-yl)-N-(2-methylprop-2-enyl)acetamide
CID 114619029
N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
CID 60708436
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
(2R)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 136857791
2-(3-methyl-1,2-oxazol-5-yl)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 90647929

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1H-indol-3-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(2-methyl-1H-indol-3-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide (CID 56738399) is 2-(2-methyl-1H-indol-3-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-methyl-1H-indol-3-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(2-methyl-1H-indol-3-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide is Cc1[nH]c2ccccc2c1CC(=O)NCc1nc(-c2cccnc2)no1.
What is the InChIKey of 2-(2-methyl-1H-indol-3-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The InChIKey is VTSSHGGXTCODFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-12-15(14-6-2-3-7-16(14)22-12)9-17(25)21-11-18-23-19(24-26-18)13-5-4-8-20-10-13/h2-8,10,22H,9,11H2,1H3,(H,21,25).
What are the key properties of 2-(2-methyl-1H-indol-3-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
2-(2-methyl-1H-indol-3-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide has a molecular weight of 347.38 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1H-indol-3-yl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 56738399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).