5-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indole-3-carboxamide

C13H13N5O2 — CID 63116744

IUPAC5-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indole-3-carboxamide
SMILESCc1noc(CNC(=O)c2c[nH]c3ccc(N)cc23)n1
InChIInChI=1S/C13H13N5O2/c1-7-17-12(20-18-7)6-16-13(19)10-5-15-11-3-2-8(14)4-9(10)11/h2-5,15H,6,14H2,1H3,(H,16,19)
InChIKeyZKMDURHZAZRVOP-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.37
Rot. Bonds3

About 5-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indole-3-carboxamide

5-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indole-3-carboxamide (PubChem CID 63116744) has the molecular formula C13H13N5O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is 5-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indole-3-carboxamide
PubChem CID63116744
Molecular FormulaC13H13N5O2
Molecular Weight271.28 g/mol
Exact Mass271.11
IUPAC Name5-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indole-3-carboxamide
SMILESCc1noc(CNC(=O)c2c[nH]c3ccc(N)cc23)n1
InChIInChI=1S/C13H13N5O2/c1-7-17-12(20-18-7)6-16-13(19)10-5-15-11-3-2-8(14)4-9(10)11/h2-5,15H,6,14H2,1H3,(H,16,19)
InChIKeyZKMDURHZAZRVOP-UHFFFAOYSA-N
XLogP1.37
TPSA109.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 61141152
5-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-indole-3-carboxamide
CID 63116779
5-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide
CID 81316418
5-amino-N-[(1-methylpyrazol-4-yl)methyl]-1H-indole-3-carboxamide
CID 63116868
5-amino-N-(5-hydroxypentyl)-1H-indole-3-carboxamide
CID 107316240
6-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide
CID 55052629
2-amino-3-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 113331710
5-amino-N-[2-oxo-2-(propylamino)ethyl]-1H-indole-3-carboxamide
CID 63116906
2,4-diamino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106413367
ethyl 4-[(5-amino-1H-indole-3-carbonyl)amino]butanoate
CID 64581541
5-amino-N-[2-(3-methylbutoxy)ethyl]-1H-indole-3-carboxamide
CID 63117353
5-amino-N-(2-hydroxy-4,4-dimethylpentyl)-1H-indole-3-carboxamide
CID 107150492

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indole-3-carboxamide?
The IUPAC name of 5-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indole-3-carboxamide (CID 63116744) is 5-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indole-3-carboxamide.
What is the SMILES notation for 5-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indole-3-carboxamide?
The canonical SMILES for 5-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indole-3-carboxamide is Cc1noc(CNC(=O)c2c[nH]c3ccc(N)cc23)n1.
What is the InChIKey of 5-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indole-3-carboxamide?
The InChIKey is ZKMDURHZAZRVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2/c1-7-17-12(20-18-7)6-16-13(19)10-5-15-11-3-2-8(14)4-9(10)11/h2-5,15H,6,14H2,1H3,(H,16,19).
What are the key properties of 5-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indole-3-carboxamide?
5-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indole-3-carboxamide has a molecular weight of 271.28 g/mol, XLogP of 1.37, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 63116744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).