3-bromo-1-methyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]indole-2-carboxamide

C15H15BrN4O2 — CID 52537910

IUPAC3-bromo-1-methyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]indole-2-carboxamide
SMILESCc1noc([C@@H](C)NC(=O)c2c(Br)c3ccccc3n2C)n1
InChIInChI=1S/C15H15BrN4O2/c1-8(15-18-9(2)19-22-15)17-14(21)13-12(16)10-6-4-5-7-11(10)20(13)3/h4-8H,1-3H3,(H,17,21)/t8-/m1/s1
InChIKeyQRNHXSIJQGEFQT-MRVPVSSYSA-N
MW363.22 g/mol
LogP3.12
Rot. Bonds3

About 3-bromo-1-methyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]indole-2-carboxamide

3-bromo-1-methyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]indole-2-carboxamide (PubChem CID 52537910) has the molecular formula C15H15BrN4O2 and a molecular weight of 363.22 g/mol. Its IUPAC name is 3-bromo-1-methyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]indole-2-carboxamide.

Molecular Properties

Compound Name3-bromo-1-methyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]indole-2-carboxamide
PubChem CID52537910
Molecular FormulaC15H15BrN4O2
Molecular Weight363.22 g/mol
Exact Mass362.04
IUPAC Name3-bromo-1-methyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]indole-2-carboxamide
SMILESCc1noc([C@@H](C)NC(=O)c2c(Br)c3ccccc3n2C)n1
InChIInChI=1S/C15H15BrN4O2/c1-8(15-18-9(2)19-22-15)17-14(21)13-12(16)10-6-4-5-7-11(10)20(13)3/h4-8H,1-3H3,(H,17,21)/t8-/m1/s1
InChIKeyQRNHXSIJQGEFQT-MRVPVSSYSA-N
XLogP3.12
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.22
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-3-carboxamide
CID 146083478
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CID 71934822
3-bromo-1-methylindole-2-carboxylic acid
CID 15290332
1,3-dimethyl-N-propan-2-ylindole-2-carboxamide
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2-methyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 125448070
N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-methylindazole-3-carboxamide
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3-bromo-N-(2-hydroxyphenyl)-1-methylindole-2-carboxamide
CID 46435355
2-(furan-2-yl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]quinoline-4-carboxamide
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2,4-dimethyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 94789301
3-bromo-N-[2-(dimethylamino)-2-methylpropyl]-1-methylindole-2-carboxamide
CID 71889789
2-(4-fluorobenzoyl)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 97315521
2-(N-methylanilino)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 97008975

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-methyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]indole-2-carboxamide?
The IUPAC name of 3-bromo-1-methyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]indole-2-carboxamide (CID 52537910) is 3-bromo-1-methyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]indole-2-carboxamide.
What is the SMILES notation for 3-bromo-1-methyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]indole-2-carboxamide?
The canonical SMILES for 3-bromo-1-methyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]indole-2-carboxamide is Cc1noc([C@@H](C)NC(=O)c2c(Br)c3ccccc3n2C)n1.
What is the InChIKey of 3-bromo-1-methyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]indole-2-carboxamide?
The InChIKey is QRNHXSIJQGEFQT-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H15BrN4O2/c1-8(15-18-9(2)19-22-15)17-14(21)13-12(16)10-6-4-5-7-11(10)20(13)3/h4-8H,1-3H3,(H,17,21)/t8-/m1/s1.
What are the key properties of 3-bromo-1-methyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]indole-2-carboxamide?
3-bromo-1-methyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]indole-2-carboxamide has a molecular weight of 363.22 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-methyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]indole-2-carboxamide is sourced from PubChem (CID 52537910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).