N,N-dimethyl-3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]cyclobutan-1-amine

C17H20N4O — CID 10709057

IUPACN,N-dimethyl-3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]cyclobutan-1-amine
SMILESCc1noc(-c2ccc3[nH]cc(C4CC(N(C)C)C4)c3c2)n1
InChIInChI=1S/C17H20N4O/c1-10-19-17(22-20-10)11-4-5-16-14(8-11)15(9-18-16)12-6-13(7-12)21(2)3/h4-5,8-9,12-13,18H,6-7H2,1-3H3
InChIKeyHEQLIAISDLRAIG-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.33
Rot. Bonds3

About N,N-dimethyl-3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]cyclobutan-1-amine

N,N-dimethyl-3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]cyclobutan-1-amine (PubChem CID 10709057) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N,N-dimethyl-3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]cyclobutan-1-amine
PubChem CID10709057
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN,N-dimethyl-3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]cyclobutan-1-amine
SMILESCc1noc(-c2ccc3[nH]cc(C4CC(N(C)C)C4)c3c2)n1
InChIInChI=1S/C17H20N4O/c1-10-19-17(22-20-10)11-4-5-16-14(8-11)15(9-18-16)12-6-13(7-12)21(2)3/h4-5,8-9,12-13,18H,6-7H2,1-3H3
InChIKeyHEQLIAISDLRAIG-UHFFFAOYSA-N
XLogP3.33
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]cyclobutan-1-amine?
The IUPAC name of N,N-dimethyl-3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]cyclobutan-1-amine (CID 10709057) is N,N-dimethyl-3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]cyclobutan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]cyclobutan-1-amine is Cc1noc(-c2ccc3[nH]cc(C4CC(N(C)C)C4)c3c2)n1.
What is the InChIKey of N,N-dimethyl-3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]cyclobutan-1-amine?
The InChIKey is HEQLIAISDLRAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-10-19-17(22-20-10)11-4-5-16-14(8-11)15(9-18-16)12-6-13(7-12)21(2)3/h4-5,8-9,12-13,18H,6-7H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]cyclobutan-1-amine?
N,N-dimethyl-3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]cyclobutan-1-amine has a molecular weight of 296.37 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 10709057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).