5-[ethoxy(pyrrolidin-1-yl)phosphoryl]-3-phenyl-4,5-dihydro-1,2-oxazole

C15H21N2O3P — CID 3079444

IUPAC5-[ethoxy(pyrrolidin-1-yl)phosphoryl]-3-phenyl-4,5-dihydro-1,2-oxazole
SMILESCCOP(=O)(C1CC(c2ccccc2)=NO1)N1CCCC1
InChIInChI=1S/C15H21N2O3P/c1-2-19-21(18,17-10-6-7-11-17)15-12-14(16-20-15)13-8-4-3-5-9-13/h3-5,8-9,15H,2,6-7,10-12H2,1H3
InChIKeyFIEZHSAXRNPCQA-UHFFFAOYSA-N
MW308.32 g/mol
LogP3.46
Rot. Bonds5

About 5-[ethoxy(pyrrolidin-1-yl)phosphoryl]-3-phenyl-4,5-dihydro-1,2-oxazole

5-[ethoxy(pyrrolidin-1-yl)phosphoryl]-3-phenyl-4,5-dihydro-1,2-oxazole (PubChem CID 3079444) has the molecular formula C15H21N2O3P and a molecular weight of 308.32 g/mol. Its IUPAC name is 5-[ethoxy(pyrrolidin-1-yl)phosphoryl]-3-phenyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-[ethoxy(pyrrolidin-1-yl)phosphoryl]-3-phenyl-4,5-dihydro-1,2-oxazole
PubChem CID3079444
Molecular FormulaC15H21N2O3P
Molecular Weight308.32 g/mol
Exact Mass308.13
IUPAC Name5-[ethoxy(pyrrolidin-1-yl)phosphoryl]-3-phenyl-4,5-dihydro-1,2-oxazole
SMILESCCOP(=O)(C1CC(c2ccccc2)=NO1)N1CCCC1
InChIInChI=1S/C15H21N2O3P/c1-2-19-21(18,17-10-6-7-11-17)15-12-14(16-20-15)13-8-4-3-5-9-13/h3-5,8-9,15H,2,6-7,10-12H2,1H3
InChIKeyFIEZHSAXRNPCQA-UHFFFAOYSA-N
XLogP3.46
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[ethoxy(pyrrolidin-1-yl)phosphoryl]-3-phenyl-4,5-dihydro-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[ethoxy(pyrrolidin-1-yl)phosphoryl]-3-phenyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-[ethoxy(pyrrolidin-1-yl)phosphoryl]-3-phenyl-4,5-dihydro-1,2-oxazole (CID 3079444) is 5-[ethoxy(pyrrolidin-1-yl)phosphoryl]-3-phenyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-[ethoxy(pyrrolidin-1-yl)phosphoryl]-3-phenyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-[ethoxy(pyrrolidin-1-yl)phosphoryl]-3-phenyl-4,5-dihydro-1,2-oxazole is CCOP(=O)(C1CC(c2ccccc2)=NO1)N1CCCC1.
What is the InChIKey of 5-[ethoxy(pyrrolidin-1-yl)phosphoryl]-3-phenyl-4,5-dihydro-1,2-oxazole?
The InChIKey is FIEZHSAXRNPCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N2O3P/c1-2-19-21(18,17-10-6-7-11-17)15-12-14(16-20-15)13-8-4-3-5-9-13/h3-5,8-9,15H,2,6-7,10-12H2,1H3.
What are the key properties of 5-[ethoxy(pyrrolidin-1-yl)phosphoryl]-3-phenyl-4,5-dihydro-1,2-oxazole?
5-[ethoxy(pyrrolidin-1-yl)phosphoryl]-3-phenyl-4,5-dihydro-1,2-oxazole has a molecular weight of 308.32 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethoxy(pyrrolidin-1-yl)phosphoryl]-3-phenyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 3079444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).