N-(1,3-benzodioxol-5-yl)-2-[2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide

C23H22N4O4 — CID 16836100

IUPACN-(1,3-benzodioxol-5-yl)-2-[2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide
SMILESCC(C)Cc1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccc3c(c2)OCO3)o1
InChIInChI=1S/C23H22N4O4/c1-14(2)9-22-25-26-23(31-22)18-10-15-5-3-4-6-17(15)27(18)12-21(28)24-16-7-8-19-20(11-16)30-13-29-19/h3-8,10-11,14H,9,12-13H2,1-2H3,(H,24,28)
InChIKeyXCZAXAZSVFTCCS-UHFFFAOYSA-N
MW418.45 g/mol
LogP4.26
Rot. Bonds6

About N-(1,3-benzodioxol-5-yl)-2-[2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide

N-(1,3-benzodioxol-5-yl)-2-[2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide (PubChem CID 16836100) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide
PubChem CID16836100
Molecular FormulaC23H22N4O4
Molecular Weight418.45 g/mol
Exact Mass418.16
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide
SMILESCC(C)Cc1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccc3c(c2)OCO3)o1
InChIInChI=1S/C23H22N4O4/c1-14(2)9-22-25-26-23(31-22)18-10-15-5-3-4-6-17(15)27(18)12-21(28)24-16-7-8-19-20(11-16)30-13-29-19/h3-8,10-11,14H,9,12-13H2,1-2H3,(H,24,28)
InChIKeyXCZAXAZSVFTCCS-UHFFFAOYSA-N
XLogP4.26
TPSA91.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
CID 16835967
N-(4-fluorophenyl)-2-[2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide
CID 26842428
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-(3-chlorophenyl)-2-[2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide
CID 26842451
2-[2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 26842436
N-phenyl-2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
CID 26842357
N-(1,3-benzodioxol-5-yl)-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028639
4-[[2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetyl]amino]benzamide
CID 18569301
N-[(1R)-1-[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 41184023
N-(1,3-benzodioxol-5-yl)-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
CID 17028556
N-(1,3-benzodioxol-5-yl)-2-[2-oxo-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide
CID 51369359
N-(1,3-benzodioxol-5-yl)-2-(2-methylpropylamino)acetamide
CID 2560584

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide (CID 16836100) is N-(1,3-benzodioxol-5-yl)-2-[2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide is CC(C)Cc1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccc3c(c2)OCO3)o1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide?
The InChIKey is XCZAXAZSVFTCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4/c1-14(2)9-22-25-26-23(31-22)18-10-15-5-3-4-6-17(15)27(18)12-21(28)24-16-7-8-19-20(11-16)30-13-29-19/h3-8,10-11,14H,9,12-13H2,1-2H3,(H,24,28).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide?
N-(1,3-benzodioxol-5-yl)-2-[2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide has a molecular weight of 418.45 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide is sourced from PubChem (CID 16836100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).