[3-[(6-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine

C16H21N5O3S — CID 120752180

IUPAC[3-[(6-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(CN2CCc3ccc(S(=O)(=O)N4CCCC4)cc32)no1
InChIInChI=1S/C16H21N5O3S/c17-10-16-18-15(19-24-16)11-20-8-5-12-3-4-13(9-14(12)20)25(22,23)21-6-1-2-7-21/h3-4,9H,1-2,5-8,10-11,17H2
InChIKeyIDPSHRQPAXYPNH-UHFFFAOYSA-N
MW363.44 g/mol
LogP0.88
Rot. Bonds5

About [3-[(6-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine

[3-[(6-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 120752180) has the molecular formula C16H21N5O3S and a molecular weight of 363.44 g/mol. Its IUPAC name is [3-[(6-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-[(6-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID120752180
Molecular FormulaC16H21N5O3S
Molecular Weight363.44 g/mol
Exact Mass363.14
IUPAC Name[3-[(6-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(CN2CCc3ccc(S(=O)(=O)N4CCCC4)cc32)no1
InChIInChI=1S/C16H21N5O3S/c17-10-16-18-15(19-24-16)11-20-8-5-12-3-4-13(9-14(12)20)25(22,23)21-6-1-2-7-21/h3-4,9H,1-2,5-8,10-11,17H2
InChIKeyIDPSHRQPAXYPNH-UHFFFAOYSA-N
XLogP0.88
TPSA105.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(6-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)acetic acid;hydrochloride
CID 119922985
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-6-piperidin-1-ylsulfonyl-1,4-benzoxazin-3-one
CID 50824764
[3-[(7-methyl-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 120752275
N-[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-3,4-dihydro-2H-quinolin-5-yl]acetamide
CID 120751341
[3-[[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 120750498
N-[2-[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]ethyl]-4-methylbenzenesulfonamide
CID 120752888
2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)acetamide
CID 31873783
1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydroindole-6-sulfonamide
CID 86974733
N-methyl-1-[5-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 120866812
3-[(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methyl]phenol
CID 75451922
[3-[[4-(2,2,2-trifluoroethyl)-2,3-dihydroquinoxalin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine;dihydrochloride
CID 120753031
1-[(6-fluoro-1,3-benzoxazol-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide
CID 71971133

Frequently Asked Questions

What is the IUPAC name of [3-[(6-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-[(6-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine (CID 120752180) is [3-[(6-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-[(6-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-[(6-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine is NCc1nc(CN2CCc3ccc(S(=O)(=O)N4CCCC4)cc32)no1.
What is the InChIKey of [3-[(6-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is IDPSHRQPAXYPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3S/c17-10-16-18-15(19-24-16)11-20-8-5-12-3-4-13(9-14(12)20)25(22,23)21-6-1-2-7-21/h3-4,9H,1-2,5-8,10-11,17H2.
What are the key properties of [3-[(6-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine?
[3-[(6-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 363.44 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(6-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 120752180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).