(1R)-1-cyclohexyl-N-[2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]ethanamine

C21H28N4O — CID 22858930

IUPAC(1R)-1-cyclohexyl-N-[2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]ethanamine
SMILESC[C@@H](NCCc1nc(-c2cn(C)c3ccccc23)no1)C1CCCCC1
InChIInChI=1S/C21H28N4O/c1-15(16-8-4-3-5-9-16)22-13-12-20-23-21(24-26-20)18-14-25(2)19-11-7-6-10-17(18)19/h6-7,10-11,14-16,22H,3-5,8-9,12-13H2,1-2H3/t15-/m1/s1
InChIKeySPIAKLJFTLXEQY-OAHLLOKOSA-N
MW352.48 g/mol
LogP4.33
Rot. Bonds6

About (1R)-1-cyclohexyl-N-[2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]ethanamine

(1R)-1-cyclohexyl-N-[2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]ethanamine (PubChem CID 22858930) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is (1R)-1-cyclohexyl-N-[2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-cyclohexyl-N-[2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]ethanamine
PubChem CID22858930
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name(1R)-1-cyclohexyl-N-[2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]ethanamine
SMILESC[C@@H](NCCc1nc(-c2cn(C)c3ccccc23)no1)C1CCCCC1
InChIInChI=1S/C21H28N4O/c1-15(16-8-4-3-5-9-16)22-13-12-20-23-21(24-26-20)18-14-25(2)19-11-7-6-10-17(18)19/h6-7,10-11,14-16,22H,3-5,8-9,12-13H2,1-2H3/t15-/m1/s1
InChIKeySPIAKLJFTLXEQY-OAHLLOKOSA-N
XLogP4.33
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R)-1-cyclohexyl-N-[2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]ethanamine with MolForge

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Related Compounds

Quisinostat
CID 11538455
Quisinostat Hydrochloride
CID 25067557
Trimethyl-[[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]azanium iodide
CID 9978162
(2S)-2-[3-(1-dodecylindol-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide;hydrochloride
CID 161707308
(2S)-2-[3-(1-decylindol-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide;hydrochloride
CID 161868734
2-amino-N-[(1R)-2-(1H-indol-3-yl)-1-[4-phenyl-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]ethyl]acetamide
CID 23648233
3-(1-Methylindol-3-yl)-5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole
CID 9818162
N,N-dimethyl-1-[3-(1-methyl-3-indolyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 9921349
2-[5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indol-3-yl]ethanamine
CID 9996008
2-[5-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)propyl]-1H-indol-3-yl]ethanamine
CID 10067088
N-[4-[[5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]acetamide
CID 10068921
2-[5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1H-indol-3-yl]ethanamine
CID 10107953

Frequently Asked Questions

What is the IUPAC name of (1R)-1-cyclohexyl-N-[2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]ethanamine?
The IUPAC name of (1R)-1-cyclohexyl-N-[2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]ethanamine (CID 22858930) is (1R)-1-cyclohexyl-N-[2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]ethanamine.
What is the SMILES notation for (1R)-1-cyclohexyl-N-[2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]ethanamine?
The canonical SMILES for (1R)-1-cyclohexyl-N-[2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]ethanamine is C[C@@H](NCCc1nc(-c2cn(C)c3ccccc23)no1)C1CCCCC1.
What is the InChIKey of (1R)-1-cyclohexyl-N-[2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]ethanamine?
The InChIKey is SPIAKLJFTLXEQY-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H28N4O/c1-15(16-8-4-3-5-9-16)22-13-12-20-23-21(24-26-20)18-14-25(2)19-11-7-6-10-17(18)19/h6-7,10-11,14-16,22H,3-5,8-9,12-13H2,1-2H3/t15-/m1/s1.
What are the key properties of (1R)-1-cyclohexyl-N-[2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]ethanamine?
(1R)-1-cyclohexyl-N-[2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]ethanamine has a molecular weight of 352.48 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cyclohexyl-N-[2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]ethanamine is sourced from PubChem (CID 22858930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).