methyl 5-morpholin-4-yl-2-phenyl-1,3-oxazole-4-carboxylate

C15H16N2O4 — CID 685354

IUPACmethyl 5-morpholin-4-yl-2-phenyl-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1nc(-c2ccccc2)oc1N1CCOCC1
InChIInChI=1S/C15H16N2O4/c1-19-15(18)12-14(17-7-9-20-10-8-17)21-13(16-12)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3
InChIKeyCKVSSQDAKXIZRE-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.96
Rot. Bonds3

About methyl 5-morpholin-4-yl-2-phenyl-1,3-oxazole-4-carboxylate

methyl 5-morpholin-4-yl-2-phenyl-1,3-oxazole-4-carboxylate (PubChem CID 685354) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is methyl 5-morpholin-4-yl-2-phenyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-morpholin-4-yl-2-phenyl-1,3-oxazole-4-carboxylate
PubChem CID685354
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Namemethyl 5-morpholin-4-yl-2-phenyl-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1nc(-c2ccccc2)oc1N1CCOCC1
InChIInChI=1S/C15H16N2O4/c1-19-15(18)12-14(17-7-9-20-10-8-17)21-13(16-12)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3
InChIKeyCKVSSQDAKXIZRE-UHFFFAOYSA-N
XLogP1.96
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 5-morpholin-4-yl-2-phenyl-1,3-oxazole-4-carboxylate 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 methyl 5-morpholin-4-yl-2-phenyl-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 5-morpholin-4-yl-2-phenyl-1,3-oxazole-4-carboxylate (CID 685354) is methyl 5-morpholin-4-yl-2-phenyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 5-morpholin-4-yl-2-phenyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 5-morpholin-4-yl-2-phenyl-1,3-oxazole-4-carboxylate is COC(=O)c1nc(-c2ccccc2)oc1N1CCOCC1.
What is the InChIKey of methyl 5-morpholin-4-yl-2-phenyl-1,3-oxazole-4-carboxylate?
The InChIKey is CKVSSQDAKXIZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-19-15(18)12-14(17-7-9-20-10-8-17)21-13(16-12)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3.
What are the key properties of methyl 5-morpholin-4-yl-2-phenyl-1,3-oxazole-4-carboxylate?
methyl 5-morpholin-4-yl-2-phenyl-1,3-oxazole-4-carboxylate has a molecular weight of 288.30 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-morpholin-4-yl-2-phenyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 685354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).