4-[[2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetyl]amino]benzamide

C20H17N5O3 — CID 18569301

IUPAC4-[[2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetyl]amino]benzamide
SMILESCc1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccc(C(N)=O)cc2)o1
InChIInChI=1S/C20H17N5O3/c1-12-23-24-20(28-12)17-10-14-4-2-3-5-16(14)25(17)11-18(26)22-15-8-6-13(7-9-15)19(21)27/h2-10H,11H2,1H3,(H2,21,27)(H,22,26)
InChIKeyMQVNUDAAZYMQIX-UHFFFAOYSA-N
MW375.39 g/mol
LogP2.74
Rot. Bonds5

About 4-[[2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetyl]amino]benzamide

4-[[2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetyl]amino]benzamide (PubChem CID 18569301) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is 4-[[2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetyl]amino]benzamide
PubChem CID18569301
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC Name4-[[2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetyl]amino]benzamide
SMILESCc1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccc(C(N)=O)cc2)o1
InChIInChI=1S/C20H17N5O3/c1-12-23-24-20(28-12)17-10-14-4-2-3-5-16(14)25(17)11-18(26)22-15-8-6-13(7-9-15)19(21)27/h2-10H,11H2,1H3,(H2,21,27)(H,22,26)
InChIKeyMQVNUDAAZYMQIX-UHFFFAOYSA-N
XLogP2.74
TPSA116.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-propan-2-ylacetamide
CID 18569319
N-phenyl-2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
CID 26842357
N-(4-fluorophenyl)-2-[2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide
CID 26842428
2-(1-ethylindol-2-yl)-5-methyl-1,3,4-oxadiazole
CID 40693672
2-methyl-4-[[2-(2-phenylindol-1-yl)acetyl]amino]benzamide
CID 56518035
N-(3-chlorophenyl)-2-[2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide
CID 26842451
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
CID 26842377
N-(2-methylphenyl)-2-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
CID 26842301
N-(1,3-benzodioxol-5-yl)-2-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
CID 16835967
N-(1,3-benzodioxol-5-yl)-2-[2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide
CID 16836100
2-[2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 26842436
2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(2-fluorophenyl)acetamide
CID 26842253

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetyl]amino]benzamide?
The IUPAC name of 4-[[2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetyl]amino]benzamide (CID 18569301) is 4-[[2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetyl]amino]benzamide is Cc1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccc(C(N)=O)cc2)o1.
What is the InChIKey of 4-[[2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetyl]amino]benzamide?
The InChIKey is MQVNUDAAZYMQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c1-12-23-24-20(28-12)17-10-14-4-2-3-5-16(14)25(17)11-18(26)22-15-8-6-13(7-9-15)19(21)27/h2-10H,11H2,1H3,(H2,21,27)(H,22,26).
What are the key properties of 4-[[2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetyl]amino]benzamide?
4-[[2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetyl]amino]benzamide has a molecular weight of 375.39 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 18569301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).