2-(4,5-diphenyl-1,3-oxazol-2-yl)-N,N-dimethyl-3-[3-(2-oxoethoxy)phenyl]propanamide

C28H26N2O4 — CID 57108115

IUPAC2-(4,5-diphenyl-1,3-oxazol-2-yl)-N,N-dimethyl-3-[3-(2-oxoethoxy)phenyl]propanamide
SMILESCN(C)C(=O)C(Cc1cccc(OCC=O)c1)c1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C28H26N2O4/c1-30(2)28(32)24(19-20-10-9-15-23(18-20)33-17-16-31)27-29-25(21-11-5-3-6-12-21)26(34-27)22-13-7-4-8-14-22/h3-16,18,24H,17,19H2,1-2H3
InChIKeyFEWODZARCIHJEG-UHFFFAOYSA-N
MW454.53 g/mol
LogP5.00
Rot. Bonds9

About 2-(4,5-diphenyl-1,3-oxazol-2-yl)-N,N-dimethyl-3-[3-(2-oxoethoxy)phenyl]propanamide

2-(4,5-diphenyl-1,3-oxazol-2-yl)-N,N-dimethyl-3-[3-(2-oxoethoxy)phenyl]propanamide (PubChem CID 57108115) has the molecular formula C28H26N2O4 and a molecular weight of 454.53 g/mol. Its IUPAC name is 2-(4,5-diphenyl-1,3-oxazol-2-yl)-N,N-dimethyl-3-[3-(2-oxoethoxy)phenyl]propanamide.

Molecular Properties

Compound Name2-(4,5-diphenyl-1,3-oxazol-2-yl)-N,N-dimethyl-3-[3-(2-oxoethoxy)phenyl]propanamide
PubChem CID57108115
Molecular FormulaC28H26N2O4
Molecular Weight454.53 g/mol
Exact Mass454.19
IUPAC Name2-(4,5-diphenyl-1,3-oxazol-2-yl)-N,N-dimethyl-3-[3-(2-oxoethoxy)phenyl]propanamide
SMILESCN(C)C(=O)C(Cc1cccc(OCC=O)c1)c1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C28H26N2O4/c1-30(2)28(32)24(19-20-10-9-15-23(18-20)33-17-16-31)27-29-25(21-11-5-3-6-12-21)26(34-27)22-13-7-4-8-14-22/h3-16,18,24H,17,19H2,1-2H3
InChIKeyFEWODZARCIHJEG-UHFFFAOYSA-N
XLogP5.00
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.53
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-diphenyl-1,3-oxazol-2-yl)-N,N-dimethyl-3-[3-(2-oxoethoxy)phenyl]propanamide?
The IUPAC name of 2-(4,5-diphenyl-1,3-oxazol-2-yl)-N,N-dimethyl-3-[3-(2-oxoethoxy)phenyl]propanamide (CID 57108115) is 2-(4,5-diphenyl-1,3-oxazol-2-yl)-N,N-dimethyl-3-[3-(2-oxoethoxy)phenyl]propanamide.
What is the SMILES notation for 2-(4,5-diphenyl-1,3-oxazol-2-yl)-N,N-dimethyl-3-[3-(2-oxoethoxy)phenyl]propanamide?
The canonical SMILES for 2-(4,5-diphenyl-1,3-oxazol-2-yl)-N,N-dimethyl-3-[3-(2-oxoethoxy)phenyl]propanamide is CN(C)C(=O)C(Cc1cccc(OCC=O)c1)c1nc(-c2ccccc2)c(-c2ccccc2)o1.
What is the InChIKey of 2-(4,5-diphenyl-1,3-oxazol-2-yl)-N,N-dimethyl-3-[3-(2-oxoethoxy)phenyl]propanamide?
The InChIKey is FEWODZARCIHJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O4/c1-30(2)28(32)24(19-20-10-9-15-23(18-20)33-17-16-31)27-29-25(21-11-5-3-6-12-21)26(34-27)22-13-7-4-8-14-22/h3-16,18,24H,17,19H2,1-2H3.
What are the key properties of 2-(4,5-diphenyl-1,3-oxazol-2-yl)-N,N-dimethyl-3-[3-(2-oxoethoxy)phenyl]propanamide?
2-(4,5-diphenyl-1,3-oxazol-2-yl)-N,N-dimethyl-3-[3-(2-oxoethoxy)phenyl]propanamide has a molecular weight of 454.53 g/mol, XLogP of 5.00, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-diphenyl-1,3-oxazol-2-yl)-N,N-dimethyl-3-[3-(2-oxoethoxy)phenyl]propanamide is sourced from PubChem (CID 57108115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).