N-methyl-1-[5-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine

C15H20N4O3S — CID 120865715

IUPACN-methyl-1-[5-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCNC(C)Cc1noc(-c2ccc3c(c2)CCN3S(C)(=O)=O)n1
InChIInChI=1S/C15H20N4O3S/c1-10(16-2)8-14-17-15(22-18-14)12-4-5-13-11(9-12)6-7-19(13)23(3,20)21/h4-5,9-10,16H,6-8H2,1-3H3
InChIKeyXRYZMPWTGKNGLT-UHFFFAOYSA-N
MW336.42 g/mol
LogP1.21
Rot. Bonds5

About N-methyl-1-[5-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine

N-methyl-1-[5-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 120865715) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is N-methyl-1-[5-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[5-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID120865715
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC NameN-methyl-1-[5-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCNC(C)Cc1noc(-c2ccc3c(c2)CCN3S(C)(=O)=O)n1
InChIInChI=1S/C15H20N4O3S/c1-10(16-2)8-14-17-15(22-18-14)12-4-5-13-11(9-12)6-7-19(13)23(3,20)21/h4-5,9-10,16H,6-8H2,1-3H3
InChIKeyXRYZMPWTGKNGLT-UHFFFAOYSA-N
XLogP1.21
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-2,3-dihydroindol-1-yl]-2-oxoethyl]acetamide;hydrochloride
CID 120868899
N-[2-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide
CID 120864944
[5-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,2,4-oxadiazol-3-yl]-phenylmethanamine
CID 167776941
N-methyl-1-[5-(4-methyl-3-methylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120866360
1-[2-chloro-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]imidazolidin-2-one;hydrochloride
CID 120867151
1-[5-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120866337
1-[5-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120868063
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
2-methoxy-N-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride
CID 120867400
N-ethyl-3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide
CID 120867248
1-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 115079254
N-cyclopentyl-2-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]benzenesulfonamide;hydrochloride
CID 120866549

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of N-methyl-1-[5-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 120865715) is N-methyl-1-[5-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for N-methyl-1-[5-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for N-methyl-1-[5-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine is CNC(C)Cc1noc(-c2ccc3c(c2)CCN3S(C)(=O)=O)n1.
What is the InChIKey of N-methyl-1-[5-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is XRYZMPWTGKNGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-10(16-2)8-14-17-15(22-18-14)12-4-5-13-11(9-12)6-7-19(13)23(3,20)21/h4-5,9-10,16H,6-8H2,1-3H3.
What are the key properties of N-methyl-1-[5-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
N-methyl-1-[5-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 336.42 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 120865715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).