3-bromo-4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide

C12H12BrN3O3 — CID 113253186

IUPAC3-bromo-4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCc2ncno2)cc1Br
InChIInChI=1S/C12H12BrN3O3/c1-18-10-3-2-8(6-9(10)13)12(17)14-5-4-11-15-7-16-19-11/h2-3,6-7H,4-5H2,1H3,(H,14,17)
InChIKeyTWJBVYWLIQRJSQ-UHFFFAOYSA-N
MW326.15 g/mol
LogP1.81
Rot. Bonds5

About 3-bromo-4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide

3-bromo-4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide (PubChem CID 113253186) has the molecular formula C12H12BrN3O3 and a molecular weight of 326.15 g/mol. Its IUPAC name is 3-bromo-4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
PubChem CID113253186
Molecular FormulaC12H12BrN3O3
Molecular Weight326.15 g/mol
Exact Mass325.01
IUPAC Name3-bromo-4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCc2ncno2)cc1Br
InChIInChI=1S/C12H12BrN3O3/c1-18-10-3-2-8(6-9(10)13)12(17)14-5-4-11-15-7-16-19-11/h2-3,6-7H,4-5H2,1H3,(H,14,17)
InChIKeyTWJBVYWLIQRJSQ-UHFFFAOYSA-N
XLogP1.81
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.15
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
CID 5120217
4-amino-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106391499
4-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 103799885
3-bromo-N-(3-bromopropyl)-4-methoxybenzamide
CID 61033584
4-hydrazinyl-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106409338
2-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-4-carboxamide
CID 103743995
3-bromo-N-ethyl-4-methoxybenzamide
CID 51200283
3-bromo-4-methoxy-N-pentylbenzamide
CID 60660286
3-bromo-N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzamide
CID 27838766
3-bromo-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-methoxybenzamide
CID 18113807
3-bromo-N-[2-(cyclopropylamino)ethyl]-4-methoxybenzamide
CID 62662939
3-bromo-N-(furan-3-ylmethyl)-4-methoxybenzamide
CID 47034242

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide?
The IUPAC name of 3-bromo-4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide (CID 113253186) is 3-bromo-4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 3-bromo-4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide?
The canonical SMILES for 3-bromo-4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide is COc1ccc(C(=O)NCCc2ncno2)cc1Br.
What is the InChIKey of 3-bromo-4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide?
The InChIKey is TWJBVYWLIQRJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O3/c1-18-10-3-2-8(6-9(10)13)12(17)14-5-4-11-15-7-16-19-11/h2-3,6-7H,4-5H2,1H3,(H,14,17).
What are the key properties of 3-bromo-4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide?
3-bromo-4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide has a molecular weight of 326.15 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 113253186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).