N-(2-methoxyethyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide

C13H16N2O3 — CID 24712273

IUPACN-(2-methoxyethyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOCCNC(=O)C1CC(c2ccccc2)=NO1
InChIInChI=1S/C13H16N2O3/c1-17-8-7-14-13(16)12-9-11(15-18-12)10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3,(H,14,16)
InChIKeyOJBVWJBHCKTASC-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.94
Rot. Bonds5

About N-(2-methoxyethyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide

N-(2-methoxyethyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 24712273) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID24712273
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN-(2-methoxyethyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOCCNC(=O)C1CC(c2ccccc2)=NO1
InChIInChI=1S/C13H16N2O3/c1-17-8-7-14-13(16)12-9-11(15-18-12)10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3,(H,14,16)
InChIKeyOJBVWJBHCKTASC-UHFFFAOYSA-N
XLogP0.94
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 24712273) is N-(2-methoxyethyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide is COCCNC(=O)C1CC(c2ccccc2)=NO1.
What is the InChIKey of N-(2-methoxyethyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is OJBVWJBHCKTASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-17-8-7-14-13(16)12-9-11(15-18-12)10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3,(H,14,16).
What are the key properties of N-(2-methoxyethyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-(2-methoxyethyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 248.28 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 24712273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).