N-[5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-3-methylbenzamide

C17H14ClN3O3 — CID 10860844

IUPACN-[5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2nnc(COc3ccccc3Cl)o2)c1
InChIInChI=1S/C17H14ClN3O3/c1-11-5-4-6-12(9-11)16(22)19-17-21-20-15(24-17)10-23-14-8-3-2-7-13(14)18/h2-9H,10H2,1H3,(H,19,21,22)
InChIKeyVJQZYXBVHCIYRW-UHFFFAOYSA-N
MW343.77 g/mol
LogP3.86
Rot. Bonds5

About N-[5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-3-methylbenzamide

N-[5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-3-methylbenzamide (PubChem CID 10860844) has the molecular formula C17H14ClN3O3 and a molecular weight of 343.77 g/mol. Its IUPAC name is N-[5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-3-methylbenzamide
PubChem CID10860844
Molecular FormulaC17H14ClN3O3
Molecular Weight343.77 g/mol
Exact Mass343.07
IUPAC NameN-[5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2nnc(COc3ccccc3Cl)o2)c1
InChIInChI=1S/C17H14ClN3O3/c1-11-5-4-6-12(9-11)16(22)19-17-21-20-15(24-17)10-23-14-8-3-2-7-13(14)18/h2-9H,10H2,1H3,(H,19,21,22)
InChIKeyVJQZYXBVHCIYRW-UHFFFAOYSA-N
XLogP3.86
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]hydrazine
CID 35754836
4-chloro-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 11078012
N-(2,6-dichlorophenyl)-3-methylbenzamide;hydrate
CID 51058525
N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylbenzamide
CID 40957009
N-(2-chlorophenyl)-3-methylbenzamide
CID 675649
3-methyl-N-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 92686300
2-[[5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone
CID 2482597
3-methyl-N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]benzamide
CID 45021441
5-[(2-chlorophenoxy)methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 973552
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-methylbenzamide
CID 18193320
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-pentoxybenzamide
CID 4154111
N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methylbenzamide
CID 43971804

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-3-methylbenzamide?
The IUPAC name of N-[5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-3-methylbenzamide (CID 10860844) is N-[5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-3-methylbenzamide.
What is the SMILES notation for N-[5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-3-methylbenzamide?
The canonical SMILES for N-[5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2nnc(COc3ccccc3Cl)o2)c1.
What is the InChIKey of N-[5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-3-methylbenzamide?
The InChIKey is VJQZYXBVHCIYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O3/c1-11-5-4-6-12(9-11)16(22)19-17-21-20-15(24-17)10-23-14-8-3-2-7-13(14)18/h2-9H,10H2,1H3,(H,19,21,22).
What are the key properties of N-[5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-3-methylbenzamide?
N-[5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-3-methylbenzamide has a molecular weight of 343.77 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-3-methylbenzamide is sourced from PubChem (CID 10860844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).