[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-methoxybenzoate

C17H13ClN2O4 — CID 7861717

IUPAC[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C17H13ClN2O4/c1-22-14-8-4-12(5-9-14)17(21)23-10-15-19-20-16(24-15)11-2-6-13(18)7-3-11/h2-9H,10H2,1H3
InChIKeyUSLWQLTXRUOWSC-UHFFFAOYSA-N
MW344.75 g/mol
LogP3.76
Rot. Bonds5

About [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-methoxybenzoate

[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-methoxybenzoate (PubChem CID 7861717) has the molecular formula C17H13ClN2O4 and a molecular weight of 344.75 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-methoxybenzoate.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-methoxybenzoate
PubChem CID7861717
Molecular FormulaC17H13ClN2O4
Molecular Weight344.75 g/mol
Exact Mass344.06
IUPAC Name[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C17H13ClN2O4/c1-22-14-8-4-12(5-9-14)17(21)23-10-15-19-20-16(24-15)11-2-6-13(18)7-3-11/h2-9H,10H2,1H3
InChIKeyUSLWQLTXRUOWSC-UHFFFAOYSA-N
XLogP3.76
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.75
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3,4-dimethoxybenzoate
CID 8010721
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-(2-methylpropoxy)benzoate
CID 7194175
[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 4-(acetamidomethyl)benzoate
CID 18102681
4-chloro-N'-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzenecarboximidamide
CID 24608900
4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzamide
CID 26051370
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(4-methoxyphenyl)sulfonylamino]benzoate
CID 16619794
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 46660082
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-methylbenzoyl)benzoate
CID 2109285
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 16611794
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3,4-dimethoxy-5-prop-2-enylbenzoate
CID 38543203
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(3-methoxybenzoyl)amino]acetate
CID 7881882
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 5-bromofuran-2-carboxylate
CID 8014044

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-methoxybenzoate?
The IUPAC name of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-methoxybenzoate (CID 7861717) is [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-methoxybenzoate.
What is the SMILES notation for [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-methoxybenzoate?
The canonical SMILES for [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-methoxybenzoate is COc1ccc(C(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)cc1.
What is the InChIKey of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-methoxybenzoate?
The InChIKey is USLWQLTXRUOWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O4/c1-22-14-8-4-12(5-9-14)17(21)23-10-15-19-20-16(24-15)11-2-6-13(18)7-3-11/h2-9H,10H2,1H3.
What are the key properties of [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-methoxybenzoate?
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-methoxybenzoate has a molecular weight of 344.75 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-methoxybenzoate is sourced from PubChem (CID 7861717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).