2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzamide

C16H12BrN3O3 — CID 2089372

IUPAC2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzamide
SMILESNC(=O)c1ccccc1OCc1nnc(-c2ccccc2Br)o1
InChIInChI=1S/C16H12BrN3O3/c17-12-7-3-1-5-10(12)16-20-19-14(23-16)9-22-13-8-4-2-6-11(13)15(18)21/h1-8H,9H2,(H2,18,21)
InChIKeyRTYYMLGXDPLOCG-UHFFFAOYSA-N
MW374.19 g/mol
LogP3.18
Rot. Bonds5

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

2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzamide (PubChem CID 2089372) has the molecular formula C16H12BrN3O3 and a molecular weight of 374.19 g/mol. Its IUPAC name is 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzamide.

Molecular Properties

Compound Name2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzamide
PubChem CID2089372
Molecular FormulaC16H12BrN3O3
Molecular Weight374.19 g/mol
Exact Mass373.01
IUPAC Name2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzamide
SMILESNC(=O)c1ccccc1OCc1nnc(-c2ccccc2Br)o1
InChIInChI=1S/C16H12BrN3O3/c17-12-7-3-1-5-10(12)16-20-19-14(23-16)9-22-13-8-4-2-6-11(13)15(18)21/h1-8H,9H2,(H2,18,21)
InChIKeyRTYYMLGXDPLOCG-UHFFFAOYSA-N
XLogP3.18
TPSA91.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.19
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(Phenoxymethyl)-1,3,4-oxadiazol-2-yl]phenol
CID 712390
2-(4-Bromophenoxy)acetic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester
CID 2080384
2-(2-Bromophenyl)-5-[(2-chloro-4-fluorophenoxy)methyl]-1,3,4-oxadiazole
CID 2084335
2-(2-Bromophenyl)-5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazole
CID 2091123
2-[[5-(2-Bromophenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzonitrile
CID 2101223
(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl 4-oxochromene-2-carboxylate
CID 2103682
2-(2-Bromophenyl)-5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazole
CID 2161535
2-(2-Bromophenyl)-5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazole
CID 2437956
4-[[5-(2-Bromophenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzaldehyde
CID 2468131
[5-(2-Bromophenyl)-1,3,4-oxadiazol-2-yl]methyl furan-2-carboxylate
CID 2631624
2-[(4-Bromo-2-methylphenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
CID 5163854
2-(Phenoxymethyl)-5-phenyl-1,3,4-oxadiazole
CID 4492340

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzamide?
The IUPAC name of 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzamide (CID 2089372) is 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzamide.
What is the SMILES notation for 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzamide?
The canonical SMILES for 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzamide is NC(=O)c1ccccc1OCc1nnc(-c2ccccc2Br)o1.
What is the InChIKey of 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzamide?
The InChIKey is RTYYMLGXDPLOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3O3/c17-12-7-3-1-5-10(12)16-20-19-14(23-16)9-22-13-8-4-2-6-11(13)15(18)21/h1-8H,9H2,(H2,18,21).
What are the key properties of 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzamide?
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzamide has a molecular weight of 374.19 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzamide is sourced from PubChem (CID 2089372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).