N-[2-[5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2,3-dihydroindol-1-yl]-2-oxoethyl]acetamide;hydrochloride

C18H24ClN5O3 — CID 120868899

IUPACN-[2-[5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2,3-dihydroindol-1-yl]-2-oxoethyl]acetamide;hydrochloride
SMILESCNC(C)Cc1noc(-c2ccc3c(c2)CCN3C(=O)CNC(C)=O)n1.Cl
InChIInChI=1S/C18H23N5O3.ClH/c1-11(19-3)8-16-21-18(26-22-16)14-4-5-15-13(9-14)6-7-23(15)17(25)10-20-12(2)24;/h4-5,9,11,19H,6-8,10H2,1-3H3,(H,20,24);1H
InChIKeyFGKFSEWZFATZPA-UHFFFAOYSA-N
MW393.88 g/mol
LogP1.33
Rot. Bonds6

About N-[2-[5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2,3-dihydroindol-1-yl]-2-oxoethyl]acetamide;hydrochloride

N-[2-[5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2,3-dihydroindol-1-yl]-2-oxoethyl]acetamide;hydrochloride (PubChem CID 120868899) has the molecular formula C18H24ClN5O3 and a molecular weight of 393.88 g/mol. Its IUPAC name is N-[2-[5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2,3-dihydroindol-1-yl]-2-oxoethyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2,3-dihydroindol-1-yl]-2-oxoethyl]acetamide;hydrochloride
PubChem CID120868899
Molecular FormulaC18H24ClN5O3
Molecular Weight393.88 g/mol
Exact Mass393.16
IUPAC NameN-[2-[5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2,3-dihydroindol-1-yl]-2-oxoethyl]acetamide;hydrochloride
SMILESCNC(C)Cc1noc(-c2ccc3c(c2)CCN3C(=O)CNC(C)=O)n1.Cl
InChIInChI=1S/C18H23N5O3.ClH/c1-11(19-3)8-16-21-18(26-22-16)14-4-5-15-13(9-14)6-7-23(15)17(25)10-20-12(2)24;/h4-5,9,11,19H,6-8,10H2,1-3H3,(H,20,24);1H
InChIKeyFGKFSEWZFATZPA-UHFFFAOYSA-N
XLogP1.33
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.88
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-1-[5-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 120865715
1-[5-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120868063
1-[2-chloro-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]imidazolidin-2-one;hydrochloride
CID 120867151
2-[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]sulfanyl-1-pyrrolidin-1-ylethanone
CID 120865038
1-[5-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120866337
N-methyl-1-[5-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 120869514
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110606103
1-[5-(4-imidazol-1-yl-3-nitrophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120867542
N-[2-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide
CID 120864944
N-methyl-1-[5-[4-(thiomorpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120867051
1-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 115079254
1-[5-(1H-indazol-5-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 167764183

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2,3-dihydroindol-1-yl]-2-oxoethyl]acetamide;hydrochloride?
The IUPAC name of N-[2-[5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2,3-dihydroindol-1-yl]-2-oxoethyl]acetamide;hydrochloride (CID 120868899) is N-[2-[5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2,3-dihydroindol-1-yl]-2-oxoethyl]acetamide;hydrochloride.
What is the SMILES notation for N-[2-[5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2,3-dihydroindol-1-yl]-2-oxoethyl]acetamide;hydrochloride?
The canonical SMILES for N-[2-[5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2,3-dihydroindol-1-yl]-2-oxoethyl]acetamide;hydrochloride is CNC(C)Cc1noc(-c2ccc3c(c2)CCN3C(=O)CNC(C)=O)n1.Cl.
What is the InChIKey of N-[2-[5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2,3-dihydroindol-1-yl]-2-oxoethyl]acetamide;hydrochloride?
The InChIKey is FGKFSEWZFATZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3.ClH/c1-11(19-3)8-16-21-18(26-22-16)14-4-5-15-13(9-14)6-7-23(15)17(25)10-20-12(2)24;/h4-5,9,11,19H,6-8,10H2,1-3H3,(H,20,24);1H.
What are the key properties of N-[2-[5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2,3-dihydroindol-1-yl]-2-oxoethyl]acetamide;hydrochloride?
N-[2-[5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2,3-dihydroindol-1-yl]-2-oxoethyl]acetamide;hydrochloride has a molecular weight of 393.88 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2,3-dihydroindol-1-yl]-2-oxoethyl]acetamide;hydrochloride is sourced from PubChem (CID 120868899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).