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

C18H14BrN3O2 — CID 53041739

IUPAC4-bromo-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2noc(C3CC3)n2)c1)c1ccc(Br)cc1
InChIInChI=1S/C18H14BrN3O2/c19-14-8-6-11(7-9-14)17(23)20-15-3-1-2-13(10-15)16-21-18(24-22-16)12-4-5-12/h1-3,6-10,12H,4-5H2,(H,20,23)
InChIKeyAVRLWRMXHKNXLL-UHFFFAOYSA-N
MW384.23 g/mol
LogP4.63
Rot. Bonds4

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

4-bromo-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide (PubChem CID 53041739) has the molecular formula C18H14BrN3O2 and a molecular weight of 384.23 g/mol. Its IUPAC name is 4-bromo-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
PubChem CID53041739
Molecular FormulaC18H14BrN3O2
Molecular Weight384.23 g/mol
Exact Mass383.03
IUPAC Name4-bromo-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2noc(C3CC3)n2)c1)c1ccc(Br)cc1
InChIInChI=1S/C18H14BrN3O2/c19-14-8-6-11(7-9-14)17(23)20-15-3-1-2-13(10-15)16-21-18(24-22-16)12-4-5-12/h1-3,6-10,12H,4-5H2,(H,20,23)
InChIKeyAVRLWRMXHKNXLL-UHFFFAOYSA-N
XLogP4.63
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.23
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 53041742
4-chloro-N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 53041787
5-bromo-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]furan-2-carboxamide
CID 53057030
N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3,4-dimethoxybenzamide
CID 53041755
N-(3-acetylphenyl)-4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzamide
CID 53057007
N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-3,4-difluorobenzamide
CID 53041769
N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-4-ethoxy-3-methoxybenzamide
CID 71856410
4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-(3-fluorophenyl)benzamide
CID 50767516
N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]oxane-4-carboxamide
CID 71856405
1-tert-butyl-3-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 75379397
3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(3-fluorophenyl)benzamide
CID 50779153
3-[[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoylamino]propanoic acid
CID 122086534

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide?
The IUPAC name of 4-bromo-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide (CID 53041739) is 4-bromo-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide is O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide?
The InChIKey is AVRLWRMXHKNXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN3O2/c19-14-8-6-11(7-9-14)17(23)20-15-3-1-2-13(10-15)16-21-18(24-22-16)12-4-5-12/h1-3,6-10,12H,4-5H2,(H,20,23).
What are the key properties of 4-bromo-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide?
4-bromo-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide has a molecular weight of 384.23 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide is sourced from PubChem (CID 53041739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).