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

C10H8N2O3 — CID 155633061

IUPAC[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl] formate
SMILESCc1noc(-c2ccccc2OC=O)n1
InChIInChI=1S/C10H8N2O3/c1-7-11-10(15-12-7)8-4-2-3-5-9(8)14-6-13/h2-6H,1H3
InChIKeyWWCYCHADROVABA-UHFFFAOYSA-N
MW204.19 g/mol
LogP1.58
Rot. Bonds3

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

[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl] formate (PubChem CID 155633061) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is [2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl] formate.

Molecular Properties

Compound Name[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl] formate
PubChem CID155633061
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl] formate
SMILESCc1noc(-c2ccccc2OC=O)n1
InChIInChI=1S/C10H8N2O3/c1-7-11-10(15-12-7)8-4-2-3-5-9(8)14-6-13/h2-6H,1H3
InChIKeyWWCYCHADROVABA-UHFFFAOYSA-N
XLogP1.58
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol;zinc
CID 135979761
5-(2-chlorophenyl)-3-methyl-1,2,4-oxadiazole
CID 30469663
N-(2,3-dimethylphenyl)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 50745798
[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine
CID 68946909
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 46971254
2,4-dimethoxy-5-(3-methyl-1,2,4-oxadiazol-5-yl)benzaldehyde
CID 22915000
2,2-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]propanamide
CID 30333251
[2-[3-(2-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl] acetate
CID 164843766
2-fluoro-6-(3-methyl-1,2,4-oxadiazol-5-yl)phenol
CID 136898430
2-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetic acid
CID 23008204
2-methoxy-2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]propanamide
CID 103028833
5-(1H-indazol-4-yl)-3-methyl-1,2,4-oxadiazole
CID 129352529

Frequently Asked Questions

What is the IUPAC name of [2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl] formate?
The IUPAC name of [2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl] formate (CID 155633061) is [2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl] formate.
What is the SMILES notation for [2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl] formate?
The canonical SMILES for [2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl] formate is Cc1noc(-c2ccccc2OC=O)n1.
What is the InChIKey of [2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl] formate?
The InChIKey is WWCYCHADROVABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c1-7-11-10(15-12-7)8-4-2-3-5-9(8)14-6-13/h2-6H,1H3.
What are the key properties of [2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl] formate?
[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl] formate has a molecular weight of 204.19 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl] formate is sourced from PubChem (CID 155633061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).