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

C18H16BrN3O2 — CID 110322168

IUPAC2-bromo-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzamide
SMILESCc1nnc(C(Cc2ccccc2)NC(=O)c2ccccc2Br)o1
InChIInChI=1S/C18H16BrN3O2/c1-12-21-22-18(24-12)16(11-13-7-3-2-4-8-13)20-17(23)14-9-5-6-10-15(14)19/h2-10,16H,11H2,1H3,(H,20,23)
InChIKeyNWPSEULJBPLRAP-UHFFFAOYSA-N
MW386.25 g/mol
LogP3.85
Rot. Bonds5

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

2-bromo-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzamide (PubChem CID 110322168) has the molecular formula C18H16BrN3O2 and a molecular weight of 386.25 g/mol. Its IUPAC name is 2-bromo-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzamide
PubChem CID110322168
Molecular FormulaC18H16BrN3O2
Molecular Weight386.25 g/mol
Exact Mass385.04
IUPAC Name2-bromo-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzamide
SMILESCc1nnc(C(Cc2ccccc2)NC(=O)c2ccccc2Br)o1
InChIInChI=1S/C18H16BrN3O2/c1-12-21-22-18(24-12)16(11-13-7-3-2-4-8-13)20-17(23)14-9-5-6-10-15(14)19/h2-10,16H,11H2,1H3,(H,20,23)
InChIKeyNWPSEULJBPLRAP-UHFFFAOYSA-N
XLogP3.85
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-dimethyl-3-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]urea
CID 110322216
2,6-dimethoxy-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzamide
CID 110322176
N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]-1,3-benzodioxole-5-carboxamide
CID 110322203
N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]-2-thiophen-2-ylacetamide
CID 110322181
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-bromobenzamide
CID 162475674
2-(3,4-dimethoxyphenyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]acetamide
CID 110322200
2-methoxy-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzamide
CID 9185498
N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]propane-1-sulfonamide
CID 110322225
N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]-1-(4-methylphenyl)methanesulfonamide
CID 110322254
3,4-dimethyl-N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzamide
CID 9185494
2,4,6-trimethyl-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzenesulfonamide
CID 110322238
N-[(1S)-1-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]pyridine-2-carboxamide
CID 9185553

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzamide?
The IUPAC name of 2-bromo-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzamide (CID 110322168) is 2-bromo-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzamide.
What is the SMILES notation for 2-bromo-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzamide?
The canonical SMILES for 2-bromo-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzamide is Cc1nnc(C(Cc2ccccc2)NC(=O)c2ccccc2Br)o1.
What is the InChIKey of 2-bromo-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzamide?
The InChIKey is NWPSEULJBPLRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O2/c1-12-21-22-18(24-12)16(11-13-7-3-2-4-8-13)20-17(23)14-9-5-6-10-15(14)19/h2-10,16H,11H2,1H3,(H,20,23).
What are the key properties of 2-bromo-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzamide?
2-bromo-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzamide has a molecular weight of 386.25 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzamide is sourced from PubChem (CID 110322168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).