3-(2-morpholin-4-yl-2-oxoethyl)-4,5-diphenyl-1,3-oxazol-2-one

C21H20N2O4 — CID 42631037

IUPAC3-(2-morpholin-4-yl-2-oxoethyl)-4,5-diphenyl-1,3-oxazol-2-one
SMILESO=C(Cn1c(-c2ccccc2)c(-c2ccccc2)oc1=O)N1CCOCC1
InChIInChI=1S/C21H20N2O4/c24-18(22-11-13-26-14-12-22)15-23-19(16-7-3-1-4-8-16)20(27-21(23)25)17-9-5-2-6-10-17/h1-10H,11-15H2
InChIKeyOXNWFWJEAQTXFF-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.63
Rot. Bonds4

About 3-(2-morpholin-4-yl-2-oxoethyl)-4,5-diphenyl-1,3-oxazol-2-one

3-(2-morpholin-4-yl-2-oxoethyl)-4,5-diphenyl-1,3-oxazol-2-one (PubChem CID 42631037) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is 3-(2-morpholin-4-yl-2-oxoethyl)-4,5-diphenyl-1,3-oxazol-2-one.

Molecular Properties

Compound Name3-(2-morpholin-4-yl-2-oxoethyl)-4,5-diphenyl-1,3-oxazol-2-one
PubChem CID42631037
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name3-(2-morpholin-4-yl-2-oxoethyl)-4,5-diphenyl-1,3-oxazol-2-one
SMILESO=C(Cn1c(-c2ccccc2)c(-c2ccccc2)oc1=O)N1CCOCC1
InChIInChI=1S/C21H20N2O4/c24-18(22-11-13-26-14-12-22)15-23-19(16-7-3-1-4-8-16)20(27-21(23)25)17-9-5-2-6-10-17/h1-10H,11-15H2
InChIKeyOXNWFWJEAQTXFF-UHFFFAOYSA-N
XLogP2.63
TPSA64.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-4-yl-2-oxoethyl)-4,5-diphenyl-1,3-oxazol-2-one?
The IUPAC name of 3-(2-morpholin-4-yl-2-oxoethyl)-4,5-diphenyl-1,3-oxazol-2-one (CID 42631037) is 3-(2-morpholin-4-yl-2-oxoethyl)-4,5-diphenyl-1,3-oxazol-2-one.
What is the SMILES notation for 3-(2-morpholin-4-yl-2-oxoethyl)-4,5-diphenyl-1,3-oxazol-2-one?
The canonical SMILES for 3-(2-morpholin-4-yl-2-oxoethyl)-4,5-diphenyl-1,3-oxazol-2-one is O=C(Cn1c(-c2ccccc2)c(-c2ccccc2)oc1=O)N1CCOCC1.
What is the InChIKey of 3-(2-morpholin-4-yl-2-oxoethyl)-4,5-diphenyl-1,3-oxazol-2-one?
The InChIKey is OXNWFWJEAQTXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c24-18(22-11-13-26-14-12-22)15-23-19(16-7-3-1-4-8-16)20(27-21(23)25)17-9-5-2-6-10-17/h1-10H,11-15H2.
What are the key properties of 3-(2-morpholin-4-yl-2-oxoethyl)-4,5-diphenyl-1,3-oxazol-2-one?
3-(2-morpholin-4-yl-2-oxoethyl)-4,5-diphenyl-1,3-oxazol-2-one has a molecular weight of 364.40 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-yl-2-oxoethyl)-4,5-diphenyl-1,3-oxazol-2-one is sourced from PubChem (CID 42631037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).