3-phenylmethoxy-1,2-oxazole-5-carbaldehyde

C11H9NO3 — CID 5324206

IUPAC3-phenylmethoxy-1,2-oxazole-5-carbaldehyde
SMILESO=Cc1cc(OCc2ccccc2)no1
InChIInChI=1S/C11H9NO3/c13-7-10-6-11(12-15-10)14-8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyURPLDQSNOHMLIP-UHFFFAOYSA-N
MW203.20 g/mol
LogP2.07
Rot. Bonds4

About 3-phenylmethoxy-1,2-oxazole-5-carbaldehyde

3-phenylmethoxy-1,2-oxazole-5-carbaldehyde (PubChem CID 5324206) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 3-phenylmethoxy-1,2-oxazole-5-carbaldehyde.

Molecular Properties

Compound Name3-phenylmethoxy-1,2-oxazole-5-carbaldehyde
PubChem CID5324206
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name3-phenylmethoxy-1,2-oxazole-5-carbaldehyde
SMILESO=Cc1cc(OCc2ccccc2)no1
InChIInChI=1S/C11H9NO3/c13-7-10-6-11(12-15-10)14-8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyURPLDQSNOHMLIP-UHFFFAOYSA-N
XLogP2.07
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 52.07
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 3-phenylmethoxy-1,2-oxazole-5-carbaldehyde?
The IUPAC name of 3-phenylmethoxy-1,2-oxazole-5-carbaldehyde (CID 5324206) is 3-phenylmethoxy-1,2-oxazole-5-carbaldehyde.
What is the SMILES notation for 3-phenylmethoxy-1,2-oxazole-5-carbaldehyde?
The canonical SMILES for 3-phenylmethoxy-1,2-oxazole-5-carbaldehyde is O=Cc1cc(OCc2ccccc2)no1.
What is the InChIKey of 3-phenylmethoxy-1,2-oxazole-5-carbaldehyde?
The InChIKey is URPLDQSNOHMLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c13-7-10-6-11(12-15-10)14-8-9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of 3-phenylmethoxy-1,2-oxazole-5-carbaldehyde?
3-phenylmethoxy-1,2-oxazole-5-carbaldehyde has a molecular weight of 203.20 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxy-1,2-oxazole-5-carbaldehyde is sourced from PubChem (CID 5324206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).