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

C16H18N2O4 — CID 770126

IUPACethyl 5-morpholin-4-yl-2-phenyl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccccc2)oc1N1CCOCC1
InChIInChI=1S/C16H18N2O4/c1-2-21-16(19)13-15(18-8-10-20-11-9-18)22-14(17-13)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3
InChIKeyNYDLPFOLYIOTGJ-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.35
Rot. Bonds4

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

ethyl 5-morpholin-4-yl-2-phenyl-1,3-oxazole-4-carboxylate (PubChem CID 770126) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is ethyl 5-morpholin-4-yl-2-phenyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-morpholin-4-yl-2-phenyl-1,3-oxazole-4-carboxylate
PubChem CID770126
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Nameethyl 5-morpholin-4-yl-2-phenyl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccccc2)oc1N1CCOCC1
InChIInChI=1S/C16H18N2O4/c1-2-21-16(19)13-15(18-8-10-20-11-9-18)22-14(17-13)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3
InChIKeyNYDLPFOLYIOTGJ-UHFFFAOYSA-N
XLogP2.35
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 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 ethyl 5-morpholin-4-yl-2-phenyl-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-morpholin-4-yl-2-phenyl-1,3-oxazole-4-carboxylate (CID 770126) is ethyl 5-morpholin-4-yl-2-phenyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-morpholin-4-yl-2-phenyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-morpholin-4-yl-2-phenyl-1,3-oxazole-4-carboxylate is CCOC(=O)c1nc(-c2ccccc2)oc1N1CCOCC1.
What is the InChIKey of ethyl 5-morpholin-4-yl-2-phenyl-1,3-oxazole-4-carboxylate?
The InChIKey is NYDLPFOLYIOTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-2-21-16(19)13-15(18-8-10-20-11-9-18)22-14(17-13)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3.
What are the key properties of ethyl 5-morpholin-4-yl-2-phenyl-1,3-oxazole-4-carboxylate?
ethyl 5-morpholin-4-yl-2-phenyl-1,3-oxazole-4-carboxylate has a molecular weight of 302.33 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-morpholin-4-yl-2-phenyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 770126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).