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

C18H22N4O2 — CID 71705041

IUPAC3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)CCc1nc(-c2ccc3cc[nH]c3c2)no1
InChIInChI=1S/C18H22N4O2/c1-12(2)7-9-20-16(23)5-6-17-21-18(22-24-17)14-4-3-13-8-10-19-15(13)11-14/h3-4,8,10-12,19H,5-7,9H2,1-2H3,(H,20,23)
InChIKeyUTQLLBRJVXSQCK-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.31
Rot. Bonds7

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

3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methylbutyl)propanamide (PubChem CID 71705041) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methylbutyl)propanamide
PubChem CID71705041
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)CCc1nc(-c2ccc3cc[nH]c3c2)no1
InChIInChI=1S/C18H22N4O2/c1-12(2)7-9-20-16(23)5-6-17-21-18(22-24-17)14-4-3-13-8-10-19-15(13)11-14/h3-4,8,10-12,19H,5-7,9H2,1-2H3,(H,20,23)
InChIKeyUTQLLBRJVXSQCK-UHFFFAOYSA-N
XLogP3.31
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 71703336
3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 71706335
N-(3-methylbutyl)-3-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 50832078
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]-1-pyrrolidin-1-ylpropan-1-one
CID 71701015
N-[(3S)-1,1-dioxothiolan-3-yl]-3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 96558035
3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide
CID 18148189
N-(2-hydroxypropyl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide
CID 45369668
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide
CID 27256344
N-[2-[di(propan-2-yl)amino]ethyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 18160853
N-(3-aminopropyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 119406004
N-(3-aminobutyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 119496253

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methylbutyl)propanamide?
The IUPAC name of 3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methylbutyl)propanamide (CID 71705041) is 3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methylbutyl)propanamide?
The canonical SMILES for 3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methylbutyl)propanamide is CC(C)CCNC(=O)CCc1nc(-c2ccc3cc[nH]c3c2)no1.
What is the InChIKey of 3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methylbutyl)propanamide?
The InChIKey is UTQLLBRJVXSQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12(2)7-9-20-16(23)5-6-17-21-18(22-24-17)14-4-3-13-8-10-19-15(13)11-14/h3-4,8,10-12,19H,5-7,9H2,1-2H3,(H,20,23).
What are the key properties of 3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methylbutyl)propanamide?
3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methylbutyl)propanamide has a molecular weight of 326.40 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 71705041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).