2-(3-bromophenyl)-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide

C18H16BrN3O2 — CID 100702296

IUPAC2-(3-bromophenyl)-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
SMILESCc1ccccc1-c1noc(CNC(=O)Cc2cccc(Br)c2)n1
InChIInChI=1S/C18H16BrN3O2/c1-12-5-2-3-8-15(12)18-21-17(24-22-18)11-20-16(23)10-13-6-4-7-14(19)9-13/h2-9H,10-11H2,1H3,(H,20,23)
InChIKeyORQONJRVJZAXJV-UHFFFAOYSA-N
MW386.25 g/mol
LogP3.67
Rot. Bonds5

About 2-(3-bromophenyl)-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide

2-(3-bromophenyl)-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide (PubChem CID 100702296) has the molecular formula C18H16BrN3O2 and a molecular weight of 386.25 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
PubChem CID100702296
Molecular FormulaC18H16BrN3O2
Molecular Weight386.25 g/mol
Exact Mass385.04
IUPAC Name2-(3-bromophenyl)-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
SMILESCc1ccccc1-c1noc(CNC(=O)Cc2cccc(Br)c2)n1
InChIInChI=1S/C18H16BrN3O2/c1-12-5-2-3-8-15(12)18-21-17(24-22-18)11-20-16(23)10-13-6-4-7-14(19)9-13/h2-9H,10-11H2,1H3,(H,20,23)
InChIKeyORQONJRVJZAXJV-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 6459787
N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pentanamide
CID 17101262
N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylacetamide
CID 110323634
3-(2,6-dichlorophenyl)-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 100604654
phenyl N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate
CID 110322766
N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110632426
3-[(2-chlorophenyl)methoxy]-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 100750231
N-[(4-chlorophenyl)methyl]-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 50984487
2-(3-bromophenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 100699556
2-(3,4-dimethylphenyl)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 50875098
N-(4,4-dimethylpentyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110611296
1-(2-chlorophenyl)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thiourea
CID 100761543

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The IUPAC name of 2-(3-bromophenyl)-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide (CID 100702296) is 2-(3-bromophenyl)-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide is Cc1ccccc1-c1noc(CNC(=O)Cc2cccc(Br)c2)n1.
What is the InChIKey of 2-(3-bromophenyl)-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The InChIKey is ORQONJRVJZAXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O2/c1-12-5-2-3-8-15(12)18-21-17(24-22-18)11-20-16(23)10-13-6-4-7-14(19)9-13/h2-9H,10-11H2,1H3,(H,20,23).
What are the key properties of 2-(3-bromophenyl)-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
2-(3-bromophenyl)-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide has a molecular weight of 386.25 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide is sourced from PubChem (CID 100702296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).