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

C12H11Br2N3O2 — CID 103882691

IUPAC2,4-dibromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
SMILESCc1noc(CCNC(=O)c2ccc(Br)cc2Br)n1
InChIInChI=1S/C12H11Br2N3O2/c1-7-16-11(19-17-7)4-5-15-12(18)9-3-2-8(13)6-10(9)14/h2-3,6H,4-5H2,1H3,(H,15,18)
InChIKeyDUHMBHMMKXVPRY-UHFFFAOYSA-N
MW389.05 g/mol
LogP2.88
Rot. Bonds4

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

2,4-dibromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide (PubChem CID 103882691) has the molecular formula C12H11Br2N3O2 and a molecular weight of 389.05 g/mol. Its IUPAC name is 2,4-dibromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
PubChem CID103882691
Molecular FormulaC12H11Br2N3O2
Molecular Weight389.05 g/mol
Exact Mass386.92
IUPAC Name2,4-dibromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
SMILESCc1noc(CCNC(=O)c2ccc(Br)cc2Br)n1
InChIInChI=1S/C12H11Br2N3O2/c1-7-16-11(19-17-7)4-5-15-12(18)9-3-2-8(13)6-10(9)14/h2-3,6H,4-5H2,1H3,(H,15,18)
InChIKeyDUHMBHMMKXVPRY-UHFFFAOYSA-N
XLogP2.88
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.05
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-sulfanylbenzamide
CID 106423390
2-amino-4-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106422930
2,4-diamino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106413367
2,6-dichloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide
CID 113230361
4-bromo-2,6-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 71972554
2-amino-5-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106413315
2-bromo-4-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 54903528
2-(ethylamino)-4-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106422949
3,5-dihydroxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 103892309
2-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-5-sulfanylbenzamide
CID 106423395
2-methyl-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 106422051
3,5-diamino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106413318

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide?
The IUPAC name of 2,4-dibromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide (CID 103882691) is 2,4-dibromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 2,4-dibromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide?
The canonical SMILES for 2,4-dibromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide is Cc1noc(CCNC(=O)c2ccc(Br)cc2Br)n1.
What is the InChIKey of 2,4-dibromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide?
The InChIKey is DUHMBHMMKXVPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2N3O2/c1-7-16-11(19-17-7)4-5-15-12(18)9-3-2-8(13)6-10(9)14/h2-3,6H,4-5H2,1H3,(H,15,18).
What are the key properties of 2,4-dibromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide?
2,4-dibromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide has a molecular weight of 389.05 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 103882691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).