[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(4-chloro-3-methylphenoxy)acetate

C17H13ClN2O4 — CID 7984861

IUPAC[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(4-chloro-3-methylphenoxy)acetate
SMILESCc1cc(OCC(=O)Oc2ccc(-c3nnco3)cc2)ccc1Cl
InChIInChI=1S/C17H13ClN2O4/c1-11-8-14(6-7-15(11)18)22-9-16(21)24-13-4-2-12(3-5-13)17-20-19-10-23-17/h2-8,10H,9H2,1H3
InChIKeyUFCJASSFORDKNC-UHFFFAOYSA-N
MW344.75 g/mol
LogP3.68
Rot. Bonds5

About [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(4-chloro-3-methylphenoxy)acetate

[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(4-chloro-3-methylphenoxy)acetate (PubChem CID 7984861) has the molecular formula C17H13ClN2O4 and a molecular weight of 344.75 g/mol. Its IUPAC name is [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(4-chloro-3-methylphenoxy)acetate.

Molecular Properties

Compound Name[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(4-chloro-3-methylphenoxy)acetate
PubChem CID7984861
Molecular FormulaC17H13ClN2O4
Molecular Weight344.75 g/mol
Exact Mass344.06
IUPAC Name[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(4-chloro-3-methylphenoxy)acetate
SMILESCc1cc(OCC(=O)Oc2ccc(-c3nnco3)cc2)ccc1Cl
InChIInChI=1S/C17H13ClN2O4/c1-11-8-14(6-7-15(11)18)22-9-16(21)24-13-4-2-12(3-5-13)17-20-19-10-23-17/h2-8,10H,9H2,1H3
InChIKeyUFCJASSFORDKNC-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(2-chlorophenoxy)acetate
CID 8874039
(4-chloro-3-methylphenyl) 2-(4-chloro-3-methylphenoxy)acetate
CID 700512
[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(3,4-dichlorophenyl)acetate
CID 2547632
(3,4-dimethylphenyl) 2-(4-chloro-3-methylphenoxy)acetate
CID 19167643
4-[2-(4-chloro-3-methylphenoxy)acetyl]oxybenzoic acid
CID 54854815
(4-propylphenyl) 2-(4-chloro-3-methylphenoxy)acetate
CID 19179045
2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-1-(2,4,5-trimethylphenyl)ethanone
CID 4826899
[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-naphthalen-1-yloxyacetate
CID 8894462
2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7556131
methyl 2-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenoxy]acetate
CID 117063330
N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 8001302
(4-chloro-3-methylphenyl) 2-(4-ethylphenoxy)acetate
CID 19178993

Frequently Asked Questions

What is the IUPAC name of [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(4-chloro-3-methylphenoxy)acetate?
The IUPAC name of [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(4-chloro-3-methylphenoxy)acetate (CID 7984861) is [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(4-chloro-3-methylphenoxy)acetate.
What is the SMILES notation for [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(4-chloro-3-methylphenoxy)acetate?
The canonical SMILES for [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(4-chloro-3-methylphenoxy)acetate is Cc1cc(OCC(=O)Oc2ccc(-c3nnco3)cc2)ccc1Cl.
What is the InChIKey of [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(4-chloro-3-methylphenoxy)acetate?
The InChIKey is UFCJASSFORDKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O4/c1-11-8-14(6-7-15(11)18)22-9-16(21)24-13-4-2-12(3-5-13)17-20-19-10-23-17/h2-8,10H,9H2,1H3.
What are the key properties of [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(4-chloro-3-methylphenoxy)acetate?
[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(4-chloro-3-methylphenoxy)acetate has a molecular weight of 344.75 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(4-chloro-3-methylphenoxy)acetate is sourced from PubChem (CID 7984861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).