5-(phenoxymethyl)-3-pyrimidin-2-yl-1,3-oxazolidine-2-carbaldehyde

C15H15N3O3 — CID 174702485

IUPAC5-(phenoxymethyl)-3-pyrimidin-2-yl-1,3-oxazolidine-2-carbaldehyde
SMILESO=CC1OC(COc2ccccc2)CN1c1ncccn1
InChIInChI=1S/C15H15N3O3/c19-10-14-18(15-16-7-4-8-17-15)9-13(21-14)11-20-12-5-2-1-3-6-12/h1-8,10,13-14H,9,11H2
InChIKeyVMWOFHHKOPTSMR-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.29
Rot. Bonds5

About 5-(phenoxymethyl)-3-pyrimidin-2-yl-1,3-oxazolidine-2-carbaldehyde

5-(phenoxymethyl)-3-pyrimidin-2-yl-1,3-oxazolidine-2-carbaldehyde (PubChem CID 174702485) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 5-(phenoxymethyl)-3-pyrimidin-2-yl-1,3-oxazolidine-2-carbaldehyde.

Molecular Properties

Compound Name5-(phenoxymethyl)-3-pyrimidin-2-yl-1,3-oxazolidine-2-carbaldehyde
PubChem CID174702485
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name5-(phenoxymethyl)-3-pyrimidin-2-yl-1,3-oxazolidine-2-carbaldehyde
SMILESO=CC1OC(COc2ccccc2)CN1c1ncccn1
InChIInChI=1S/C15H15N3O3/c19-10-14-18(15-16-7-4-8-17-15)9-13(21-14)11-20-12-5-2-1-3-6-12/h1-8,10,13-14H,9,11H2
InChIKeyVMWOFHHKOPTSMR-UHFFFAOYSA-N
XLogP1.29
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(phenoxymethyl)-3-pyrimidin-2-yl-1,3-oxazolidine-2-carbaldehyde?
The IUPAC name of 5-(phenoxymethyl)-3-pyrimidin-2-yl-1,3-oxazolidine-2-carbaldehyde (CID 174702485) is 5-(phenoxymethyl)-3-pyrimidin-2-yl-1,3-oxazolidine-2-carbaldehyde.
What is the SMILES notation for 5-(phenoxymethyl)-3-pyrimidin-2-yl-1,3-oxazolidine-2-carbaldehyde?
The canonical SMILES for 5-(phenoxymethyl)-3-pyrimidin-2-yl-1,3-oxazolidine-2-carbaldehyde is O=CC1OC(COc2ccccc2)CN1c1ncccn1.
What is the InChIKey of 5-(phenoxymethyl)-3-pyrimidin-2-yl-1,3-oxazolidine-2-carbaldehyde?
The InChIKey is VMWOFHHKOPTSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c19-10-14-18(15-16-7-4-8-17-15)9-13(21-14)11-20-12-5-2-1-3-6-12/h1-8,10,13-14H,9,11H2.
What are the key properties of 5-(phenoxymethyl)-3-pyrimidin-2-yl-1,3-oxazolidine-2-carbaldehyde?
5-(phenoxymethyl)-3-pyrimidin-2-yl-1,3-oxazolidine-2-carbaldehyde has a molecular weight of 285.30 g/mol, XLogP of 1.29, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(phenoxymethyl)-3-pyrimidin-2-yl-1,3-oxazolidine-2-carbaldehyde is sourced from PubChem (CID 174702485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).