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

C17H13ClN2O4 — CID 7671554

IUPACmethyl 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate
SMILESCOC(=O)c1cccc(OCc2nnc(-c3ccc(Cl)cc3)o2)c1
InChIInChI=1S/C17H13ClN2O4/c1-22-17(21)12-3-2-4-14(9-12)23-10-15-19-20-16(24-15)11-5-7-13(18)8-6-11/h2-9H,10H2,1H3
InChIKeyVAYSOXCBRFFZOP-UHFFFAOYSA-N
MW344.75 g/mol
LogP3.76
Rot. Bonds5

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

methyl 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate (PubChem CID 7671554) has the molecular formula C17H13ClN2O4 and a molecular weight of 344.75 g/mol. Its IUPAC name is methyl 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate.

Molecular Properties

Compound Namemethyl 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate
PubChem CID7671554
Molecular FormulaC17H13ClN2O4
Molecular Weight344.75 g/mol
Exact Mass344.06
IUPAC Namemethyl 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate
SMILESCOC(=O)c1cccc(OCc2nnc(-c3ccc(Cl)cc3)o2)c1
InChIInChI=1S/C17H13ClN2O4/c1-22-17(21)12-3-2-4-14(9-12)23-10-15-19-20-16(24-15)11-5-7-13(18)8-6-11/h2-9H,10H2,1H3
InChIKeyVAYSOXCBRFFZOP-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

Analyze methyl 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate with MolForge

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Related Compounds

methyl 3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate
CID 112788001
[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 3,4-dimethoxybenzoate
CID 8010721
N-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-1H-indole-6-carboxamide
CID 50841848
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-methoxybenzoate
CID 7861717
N-[2-[4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]anilino]-2-oxoethyl]-4-methylbenzamide
CID 50844071
[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-phenylmethanone
CID 27912068
N-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 50841874
2-(4-chlorophenyl)-5-(dibenzofuran-2-yloxymethyl)-1,3,4-oxadiazole
CID 7612771
N-[(2R)-1-[3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]anilino]-1-oxopropan-2-yl]benzamide
CID 92900005
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylbenzamide
CID 110319780
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2,3-dimethylbenzoate
CID 7968212

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate?
The IUPAC name of methyl 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate (CID 7671554) is methyl 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate.
What is the SMILES notation for methyl 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate?
The canonical SMILES for methyl 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate is COC(=O)c1cccc(OCc2nnc(-c3ccc(Cl)cc3)o2)c1.
What is the InChIKey of methyl 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate?
The InChIKey is VAYSOXCBRFFZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O4/c1-22-17(21)12-3-2-4-14(9-12)23-10-15-19-20-16(24-15)11-5-7-13(18)8-6-11/h2-9H,10H2,1H3.
What are the key properties of methyl 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate?
methyl 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate 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 methyl 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate is sourced from PubChem (CID 7671554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).