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

C19H18ClN3O5 — CID 46128986

IUPAC2-chloro-N-[[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
SMILESCOc1cc(-c2noc(CNC(=O)c3ccccc3Cl)n2)cc(OC)c1OC
InChIInChI=1S/C19H18ClN3O5/c1-25-14-8-11(9-15(26-2)17(14)27-3)18-22-16(28-23-18)10-21-19(24)12-6-4-5-7-13(12)20/h4-9H,10H2,1-3H3,(H,21,24)
InChIKeyILRCPVDGHVRCKE-UHFFFAOYSA-N
MW403.82 g/mol
LogP3.35
Rot. Bonds7

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

2-chloro-N-[[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide (PubChem CID 46128986) has the molecular formula C19H18ClN3O5 and a molecular weight of 403.82 g/mol. Its IUPAC name is 2-chloro-N-[[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
PubChem CID46128986
Molecular FormulaC19H18ClN3O5
Molecular Weight403.82 g/mol
Exact Mass403.09
IUPAC Name2-chloro-N-[[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
SMILESCOc1cc(-c2noc(CNC(=O)c3ccccc3Cl)n2)cc(OC)c1OC
InChIInChI=1S/C19H18ClN3O5/c1-25-14-8-11(9-15(26-2)17(14)27-3)18-22-16(28-23-18)10-21-19(24)12-6-4-5-7-13(12)20/h4-9H,10H2,1-3H3,(H,21,24)
InChIKeyILRCPVDGHVRCKE-UHFFFAOYSA-N
XLogP3.35
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.82
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxybenzamide
CID 4970836
2-chloro-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 4897476
2-chloro-N-[[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 42797709
1-(3-chloro-4-methylphenyl)-3-[[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 42797838
N-[[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanecarboxamide
CID 42797708
1-(2-ethoxyphenyl)-3-[[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 42797836
N-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxybenzamide
CID 42797734
2-chloro-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 4870909
1-(3,5-dimethoxyphenyl)-3-[[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 42797835
N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4,5-trimethoxybenzamide
CID 4896075
2-iodo-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 50874673
2-chloro-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 93173363

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The IUPAC name of 2-chloro-N-[[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide (CID 46128986) is 2-chloro-N-[[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide.
What is the SMILES notation for 2-chloro-N-[[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The canonical SMILES for 2-chloro-N-[[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide is COc1cc(-c2noc(CNC(=O)c3ccccc3Cl)n2)cc(OC)c1OC.
What is the InChIKey of 2-chloro-N-[[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The InChIKey is ILRCPVDGHVRCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O5/c1-25-14-8-11(9-15(26-2)17(14)27-3)18-22-16(28-23-18)10-21-19(24)12-6-4-5-7-13(12)20/h4-9H,10H2,1-3H3,(H,21,24).
What are the key properties of 2-chloro-N-[[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
2-chloro-N-[[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide has a molecular weight of 403.82 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide is sourced from PubChem (CID 46128986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).