4-[3-[(5-methoxy-1-methylindole-2-carbonyl)amino]propyl]-1,2,5-oxadiazole-3-carboxylic acid

C17H18N4O5 — CID 72885216

IUPAC4-[3-[(5-methoxy-1-methylindole-2-carbonyl)amino]propyl]-1,2,5-oxadiazole-3-carboxylic acid
SMILESCOc1ccc2c(c1)cc(C(=O)NCCCc1nonc1C(=O)O)n2C
InChIInChI=1S/C17H18N4O5/c1-21-13-6-5-11(25-2)8-10(13)9-14(21)16(22)18-7-3-4-12-15(17(23)24)20-26-19-12/h5-6,8-9H,3-4,7H2,1-2H3,(H,18,22)(H,23,24)
InChIKeyAVLOBERLCCTSRG-UHFFFAOYSA-N
MW358.35 g/mol
LogP1.63
Rot. Bonds7

About 4-[3-[(5-methoxy-1-methylindole-2-carbonyl)amino]propyl]-1,2,5-oxadiazole-3-carboxylic acid

4-[3-[(5-methoxy-1-methylindole-2-carbonyl)amino]propyl]-1,2,5-oxadiazole-3-carboxylic acid (PubChem CID 72885216) has the molecular formula C17H18N4O5 and a molecular weight of 358.35 g/mol. Its IUPAC name is 4-[3-[(5-methoxy-1-methylindole-2-carbonyl)amino]propyl]-1,2,5-oxadiazole-3-carboxylic acid.

Molecular Properties

Compound Name4-[3-[(5-methoxy-1-methylindole-2-carbonyl)amino]propyl]-1,2,5-oxadiazole-3-carboxylic acid
PubChem CID72885216
Molecular FormulaC17H18N4O5
Molecular Weight358.35 g/mol
Exact Mass358.13
IUPAC Name4-[3-[(5-methoxy-1-methylindole-2-carbonyl)amino]propyl]-1,2,5-oxadiazole-3-carboxylic acid
SMILESCOc1ccc2c(c1)cc(C(=O)NCCCc1nonc1C(=O)O)n2C
InChIInChI=1S/C17H18N4O5/c1-21-13-6-5-11(25-2)8-10(13)9-14(21)16(22)18-7-3-4-12-15(17(23)24)20-26-19-12/h5-6,8-9H,3-4,7H2,1-2H3,(H,18,22)(H,23,24)
InChIKeyAVLOBERLCCTSRG-UHFFFAOYSA-N
XLogP1.63
TPSA119.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(5-methoxy-1-methylindole-2-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 72891753
5-methoxy-1-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]indole-2-carboxamide
CID 56721773
5-methoxy-1-methyl-N-(2-quinolin-8-yloxyethyl)indole-2-carboxamide
CID 70736168
5-methoxy-1-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]indole-2-carboxamide
CID 70778357
5-methoxy-1-methyl-N-phenylindole-2-carboxamide
CID 10707870
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methoxy-1-methylindole-2-carboxamide
CID 70735811
N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-methylindole-2-carboxamide
CID 29130862
N-(1-aminopropan-2-yl)-5-methoxy-1-methylindole-2-carboxamide
CID 110833437
N-[2-(3-methoxyphenyl)ethyl]-1-methylindole-2-carboxamide
CID 113207074
5-ethoxy-1-methyl-N-(3-morpholin-4-yl-3-oxopropyl)indole-2-carboxamide
CID 46971563
5-methoxy-1-methyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]indole-2-carboxamide
CID 97112460
N-[[3-(dimethylamino)phenyl]methyl]-5-methoxy-1-methylindole-2-carboxamide
CID 70739975

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(5-methoxy-1-methylindole-2-carbonyl)amino]propyl]-1,2,5-oxadiazole-3-carboxylic acid?
The IUPAC name of 4-[3-[(5-methoxy-1-methylindole-2-carbonyl)amino]propyl]-1,2,5-oxadiazole-3-carboxylic acid (CID 72885216) is 4-[3-[(5-methoxy-1-methylindole-2-carbonyl)amino]propyl]-1,2,5-oxadiazole-3-carboxylic acid.
What is the SMILES notation for 4-[3-[(5-methoxy-1-methylindole-2-carbonyl)amino]propyl]-1,2,5-oxadiazole-3-carboxylic acid?
The canonical SMILES for 4-[3-[(5-methoxy-1-methylindole-2-carbonyl)amino]propyl]-1,2,5-oxadiazole-3-carboxylic acid is COc1ccc2c(c1)cc(C(=O)NCCCc1nonc1C(=O)O)n2C.
What is the InChIKey of 4-[3-[(5-methoxy-1-methylindole-2-carbonyl)amino]propyl]-1,2,5-oxadiazole-3-carboxylic acid?
The InChIKey is AVLOBERLCCTSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O5/c1-21-13-6-5-11(25-2)8-10(13)9-14(21)16(22)18-7-3-4-12-15(17(23)24)20-26-19-12/h5-6,8-9H,3-4,7H2,1-2H3,(H,18,22)(H,23,24).
What are the key properties of 4-[3-[(5-methoxy-1-methylindole-2-carbonyl)amino]propyl]-1,2,5-oxadiazole-3-carboxylic acid?
4-[3-[(5-methoxy-1-methylindole-2-carbonyl)amino]propyl]-1,2,5-oxadiazole-3-carboxylic acid has a molecular weight of 358.35 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(5-methoxy-1-methylindole-2-carbonyl)amino]propyl]-1,2,5-oxadiazole-3-carboxylic acid is sourced from PubChem (CID 72885216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).