[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] acetate

C11H10N2O3 — CID 154709033

IUPAC[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] acetate
SMILESCC(=O)Oc1ccc(-c2noc(C)n2)cc1
InChIInChI=1S/C11H10N2O3/c1-7-12-11(13-16-7)9-3-5-10(6-4-9)15-8(2)14/h3-6H,1-2H3
InChIKeyUDYJAUZYMFHDKI-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.97
Rot. Bonds2

About [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] acetate

[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] acetate (PubChem CID 154709033) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] acetate.

Molecular Properties

Compound Name[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] acetate
PubChem CID154709033
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] acetate
SMILESCC(=O)Oc1ccc(-c2noc(C)n2)cc1
InChIInChI=1S/C11H10N2O3/c1-7-12-11(13-16-7)9-3-5-10(6-4-9)15-8(2)14/h3-6H,1-2H3
InChIKeyUDYJAUZYMFHDKI-UHFFFAOYSA-N
XLogP1.97
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]phenyl]acetamide
CID 890855
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]boronic acid
CID 142792272
N-methyl-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 47119130
[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylcarbamoyl]phenyl] acetate
CID 8894701
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] 5-acetamido-2-fluorobenzoate
CID 47571605
3-(4-butoxyphenyl)-5-methyl-1,2,4-oxadiazole
CID 168997991
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate
CID 134012347
2-methoxyethyl prop-2-enoate;[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl] acetate
CID 90943875
3-(4-chlorophenyl)-5-methyl-1,2,4-oxadiazole
CID 684002
[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl] propanoate
CID 2993467
N-(3-acetamidophenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 17443328
(4-methylphenyl) acetate;zinc
CID 159589232

Frequently Asked Questions

What is the IUPAC name of [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] acetate?
The IUPAC name of [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] acetate (CID 154709033) is [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] acetate.
What is the SMILES notation for [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] acetate?
The canonical SMILES for [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] acetate is CC(=O)Oc1ccc(-c2noc(C)n2)cc1.
What is the InChIKey of [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] acetate?
The InChIKey is UDYJAUZYMFHDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-7-12-11(13-16-7)9-3-5-10(6-4-9)15-8(2)14/h3-6H,1-2H3.
What are the key properties of [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] acetate?
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] acetate has a molecular weight of 218.21 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] acetate is sourced from PubChem (CID 154709033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).