[5-(2-chlorophenyl)-1,2-oxazol-4-yl] formate

C10H6ClNO3 — CID 174407084

IUPAC[5-(2-chlorophenyl)-1,2-oxazol-4-yl] formate
SMILESO=COc1cnoc1-c1ccccc1Cl
InChIInChI=1S/C10H6ClNO3/c11-8-4-2-1-3-7(8)10-9(14-6-13)5-12-15-10/h1-6H
InChIKeyGBDNGARMDKYLES-UHFFFAOYSA-N
MW223.62 g/mol
LogP2.53
Rot. Bonds3

About [5-(2-chlorophenyl)-1,2-oxazol-4-yl] formate

[5-(2-chlorophenyl)-1,2-oxazol-4-yl] formate (PubChem CID 174407084) has the molecular formula C10H6ClNO3 and a molecular weight of 223.62 g/mol. Its IUPAC name is [5-(2-chlorophenyl)-1,2-oxazol-4-yl] formate.

Molecular Properties

Compound Name[5-(2-chlorophenyl)-1,2-oxazol-4-yl] formate
PubChem CID174407084
Molecular FormulaC10H6ClNO3
Molecular Weight223.62 g/mol
Exact Mass223.00
IUPAC Name[5-(2-chlorophenyl)-1,2-oxazol-4-yl] formate
SMILESO=COc1cnoc1-c1ccccc1Cl
InChIInChI=1S/C10H6ClNO3/c11-8-4-2-1-3-7(8)10-9(14-6-13)5-12-15-10/h1-6H
InChIKeyGBDNGARMDKYLES-UHFFFAOYSA-N
XLogP2.53
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.62
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-(2-chlorophenyl)-1,2-oxazol-4-yl] formate?
The IUPAC name of [5-(2-chlorophenyl)-1,2-oxazol-4-yl] formate (CID 174407084) is [5-(2-chlorophenyl)-1,2-oxazol-4-yl] formate.
What is the SMILES notation for [5-(2-chlorophenyl)-1,2-oxazol-4-yl] formate?
The canonical SMILES for [5-(2-chlorophenyl)-1,2-oxazol-4-yl] formate is O=COc1cnoc1-c1ccccc1Cl.
What is the InChIKey of [5-(2-chlorophenyl)-1,2-oxazol-4-yl] formate?
The InChIKey is GBDNGARMDKYLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNO3/c11-8-4-2-1-3-7(8)10-9(14-6-13)5-12-15-10/h1-6H.
What are the key properties of [5-(2-chlorophenyl)-1,2-oxazol-4-yl] formate?
[5-(2-chlorophenyl)-1,2-oxazol-4-yl] formate has a molecular weight of 223.62 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chlorophenyl)-1,2-oxazol-4-yl] formate is sourced from PubChem (CID 174407084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).