N-benzyl-3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]propanamide

C20H18N4O2 — CID 71703336

IUPACN-benzyl-3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESO=C(CCc1nc(-c2ccc3cc[nH]c3c2)no1)NCc1ccccc1
InChIInChI=1S/C20H18N4O2/c25-18(22-13-14-4-2-1-3-5-14)8-9-19-23-20(24-26-19)16-7-6-15-10-11-21-17(15)12-16/h1-7,10-12,21H,8-9,13H2,(H,22,25)
InChIKeyXVJDVCPALJEOAH-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.47
Rot. Bonds6

About N-benzyl-3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]propanamide

N-benzyl-3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 71703336) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-benzyl-3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-benzyl-3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID71703336
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC NameN-benzyl-3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESO=C(CCc1nc(-c2ccc3cc[nH]c3c2)no1)NCc1ccccc1
InChIInChI=1S/C20H18N4O2/c25-18(22-13-14-4-2-1-3-5-14)8-9-19-23-20(24-26-19)16-7-6-15-10-11-21-17(15)12-16/h1-7,10-12,21H,8-9,13H2,(H,22,25)
InChIKeyXVJDVCPALJEOAH-UHFFFAOYSA-N
XLogP3.47
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-indol-6-ylmethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 70779617
3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 71706335
3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methylbutyl)propanamide
CID 71705041
3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 71701015
N-[(4-fluorophenyl)methyl]-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 71821682
N-[(3S)-1,1-dioxothiolan-3-yl]-3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 96558035
N-benzyl-2-(1H-indol-6-yl)acetamide
CID 54366810
N-benzyl-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 110330717
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide
CID 8546312
3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 16616471
N-[(4-chlorophenyl)methyl]-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide
CID 42534928
N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenylpropanamide
CID 110323526

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-benzyl-3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]propanamide (CID 71703336) is N-benzyl-3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-benzyl-3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-benzyl-3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]propanamide is O=C(CCc1nc(-c2ccc3cc[nH]c3c2)no1)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is XVJDVCPALJEOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c25-18(22-13-14-4-2-1-3-5-14)8-9-19-23-20(24-26-19)16-7-6-15-10-11-21-17(15)12-16/h1-7,10-12,21H,8-9,13H2,(H,22,25).
What are the key properties of N-benzyl-3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]propanamide?
N-benzyl-3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 346.39 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 71703336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).