2-bromo-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-fluorobenzamide

C13H11BrFN3O2 — CID 47063305

IUPAC2-bromo-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-fluorobenzamide
SMILESO=C(NCc1nc(C2CC2)no1)c1ccc(F)cc1Br
InChIInChI=1S/C13H11BrFN3O2/c14-10-5-8(15)3-4-9(10)13(19)16-6-11-17-12(18-20-11)7-1-2-7/h3-5,7H,1-2,6H2,(H,16,19)
InChIKeyXDILHDHOMVBXFH-UHFFFAOYSA-N
MW340.15 g/mol
LogP2.78
Rot. Bonds4

About 2-bromo-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-fluorobenzamide

2-bromo-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-fluorobenzamide (PubChem CID 47063305) has the molecular formula C13H11BrFN3O2 and a molecular weight of 340.15 g/mol. Its IUPAC name is 2-bromo-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-fluorobenzamide
PubChem CID47063305
Molecular FormulaC13H11BrFN3O2
Molecular Weight340.15 g/mol
Exact Mass339.00
IUPAC Name2-bromo-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-fluorobenzamide
SMILESO=C(NCc1nc(C2CC2)no1)c1ccc(F)cc1Br
InChIInChI=1S/C13H11BrFN3O2/c14-10-5-8(15)3-4-9(10)13(19)16-6-11-17-12(18-20-11)7-1-2-7/h3-5,7H,1-2,6H2,(H,16,19)
InChIKeyXDILHDHOMVBXFH-UHFFFAOYSA-N
XLogP2.78
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.15
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}benzamide
CID 2985918
2-fluoro-N-{3-[[(3-isobutyl-1,2,4-oxadiazol-5-yl)methyl](methyl)amino]-3-oxopropyl}benzamide
CID 46996325
(5-Bromo-2-fluorophenyl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 52373325
N-(2-(((3-methyl-1,2,4-oxadiazol-5-yl)methyl)amino)-2-oxoethyl)benzamide
CID 49670625
"N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide"
CID 91917594
3-Fluoro-N-((3-phenyl-1,2,4-oxadiazol-5-yl)methyl)benzamide
CID 2985440
4-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 2990746
2-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 2991047
2-fluoro-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 2991673
4-fluoro-N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}benzamide
CID 2997139
3-fluoro-N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}benzamide
CID 2997287
3-cyclopropyl-N-(2-{[(4-fluorophenyl)carbonyl]amino}ethyl)-1,2,4-oxadiazole-5-carboxamide
CID 16765759

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-fluorobenzamide?
The IUPAC name of 2-bromo-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-fluorobenzamide (CID 47063305) is 2-bromo-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-fluorobenzamide?
The canonical SMILES for 2-bromo-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-fluorobenzamide is O=C(NCc1nc(C2CC2)no1)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-fluorobenzamide?
The InChIKey is XDILHDHOMVBXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFN3O2/c14-10-5-8(15)3-4-9(10)13(19)16-6-11-17-12(18-20-11)7-1-2-7/h3-5,7H,1-2,6H2,(H,16,19).
What are the key properties of 2-bromo-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-fluorobenzamide?
2-bromo-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-fluorobenzamide has a molecular weight of 340.15 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-fluorobenzamide is sourced from PubChem (CID 47063305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).