5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide

C15H17N5O2 — CID 19022935

IUPAC5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCNC(=O)c1noc(Cc2ccc3[nH]cc(CCN)c3c2)n1
InChIInChI=1S/C15H17N5O2/c1-17-15(21)14-19-13(22-20-14)7-9-2-3-12-11(6-9)10(4-5-16)8-18-12/h2-3,6,8,18H,4-5,7,16H2,1H3,(H,17,21)
InChIKeyCJRDACFYFVETFD-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.00
Rot. Bonds5

About 5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide

5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 19022935) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID19022935
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCNC(=O)c1noc(Cc2ccc3[nH]cc(CCN)c3c2)n1
InChIInChI=1S/C15H17N5O2/c1-17-15(21)14-19-13(22-20-14)7-9-2-3-12-11(6-9)10(4-5-16)8-18-12/h2-3,6,8,18H,4-5,7,16H2,1H3,(H,17,21)
InChIKeyCJRDACFYFVETFD-UHFFFAOYSA-N
XLogP1.00
TPSA109.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-[(2,5-difluorophenyl)methyl]-1,2,4-oxadiazole-3-carboxamide
CID 66832117
N-[[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]acetamide
CID 10063319
5-[(1S)-1-amino-2-(1H-indol-3-yl)ethyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 102790745
[4-[5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide
CID 19023004
N-[[4-[5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]methanesulfonamide
CID 19023013
2-[5-(2-phenylethyl)-1H-indol-3-yl]ethanamine
CID 22419950
N,N-dimethyl-2-[5-[[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-indol-3-yl]ethanamine
CID 19022934
3-(2-aminoethyl)-N-[2-[4-(dimethylamino)phenyl]ethyl]-1H-indole-5-carboxamide
CID 14326601
1-[3-(2-aminoethyl)-1H-indol-5-yl]-N-(2-phenylethyl)methanesulfonamide;hydrochloride
CID 13286067
5-[[[2-(3-chloro-4-hydroxyphenyl)acetyl]amino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 91777284
N-[4-[[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]methanesulfonamide;hydrate
CID 23581822
2-[5-[(2-methylimidazol-1-yl)methyl]-1H-indol-3-yl]ethanamine
CID 10106373

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide (CID 19022935) is 5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide is CNC(=O)c1noc(Cc2ccc3[nH]cc(CCN)c3c2)n1.
What is the InChIKey of 5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is CJRDACFYFVETFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-17-15(21)14-19-13(22-20-14)7-9-2-3-12-11(6-9)10(4-5-16)8-18-12/h2-3,6,8,18H,4-5,7,16H2,1H3,(H,17,21).
What are the key properties of 5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 1.00, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 19022935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).