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

C14H15N5O2 — CID 102790745

IUPAC5-[(1S)-1-amino-2-(1H-indol-3-yl)ethyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCNC(=O)c1noc([C@@H](N)Cc2c[nH]c3ccccc23)n1
InChIInChI=1S/C14H15N5O2/c1-16-13(20)12-18-14(21-19-12)10(15)6-8-7-17-11-5-3-2-4-9(8)11/h2-5,7,10,17H,6,15H2,1H3,(H,16,20)/t10-/m0/s1
InChIKeyROPYBPJASNMKLG-JTQLQIEISA-N
MW285.31 g/mol
LogP1.15
Rot. Bonds4

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

5-[(1S)-1-amino-2-(1H-indol-3-yl)ethyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102790745) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 5-[(1S)-1-amino-2-(1H-indol-3-yl)ethyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[(1S)-1-amino-2-(1H-indol-3-yl)ethyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID102790745
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name5-[(1S)-1-amino-2-(1H-indol-3-yl)ethyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCNC(=O)c1noc([C@@H](N)Cc2c[nH]c3ccccc23)n1
InChIInChI=1S/C14H15N5O2/c1-16-13(20)12-18-14(21-19-12)10(15)6-8-7-17-11-5-3-2-4-9(8)11/h2-5,7,10,17H,6,15H2,1H3,(H,16,20)/t10-/m0/s1
InChIKeyROPYBPJASNMKLG-JTQLQIEISA-N
XLogP1.15
TPSA109.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[(1S)-1-amino-2-(1H-indol-3-yl)ethyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide with MolForge

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Related Compounds

ethyl 2-[(1R)-1-amino-2-(1H-indol-3-yl)ethyl]-5-ethyl-1,3-oxazole-4-carboxylate
CID 10544189
(1S)-2-(1H-indol-3-yl)-1-(4-methyl-1,3-oxazol-2-yl)ethanamine
CID 82387349
2-[1-amino-2-(1H-indol-3-yl)ethyl]-N-pentadecyl-1,3-oxazole-4-carboxamide
CID 3303836
5-[(1S)-1-amino-2-(1H-indol-3-yl)ethyl]-1,2,4-oxadiazol-3-one
CID 82385854
2-[1-amino-2-(1H-indol-3-yl)ethyl]-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3807076
2-[1-amino-2-(1H-indol-3-yl)ethyl]-N-[(4-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3833207
[2-(1H-indol-3-yl)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid
CID 68787766
(2R)-2-amino-3-(1H-indol-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 104910728
2-amino-3-(1H-indol-3-yl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 114350943
methyl 2-bromo-3-(1H-indol-3-yl)propanoate
CID 82627645
trimethylsilyl 2-amino-3-(1H-indol-3-yl)propanoate
CID 85288956
(1S)-2-(1H-indol-3-yl)-1-[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]ethanamine chloride
CID 53314694

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-amino-2-(1H-indol-3-yl)ethyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[(1S)-1-amino-2-(1H-indol-3-yl)ethyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide (CID 102790745) is 5-[(1S)-1-amino-2-(1H-indol-3-yl)ethyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[(1S)-1-amino-2-(1H-indol-3-yl)ethyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[(1S)-1-amino-2-(1H-indol-3-yl)ethyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide is CNC(=O)c1noc([C@@H](N)Cc2c[nH]c3ccccc23)n1.
What is the InChIKey of 5-[(1S)-1-amino-2-(1H-indol-3-yl)ethyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is ROPYBPJASNMKLG-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15N5O2/c1-16-13(20)12-18-14(21-19-12)10(15)6-8-7-17-11-5-3-2-4-9(8)11/h2-5,7,10,17H,6,15H2,1H3,(H,16,20)/t10-/m0/s1.
What are the key properties of 5-[(1S)-1-amino-2-(1H-indol-3-yl)ethyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
5-[(1S)-1-amino-2-(1H-indol-3-yl)ethyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 285.31 g/mol, XLogP of 1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-amino-2-(1H-indol-3-yl)ethyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102790745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).