5-[2-[4-methoxy-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-oxazolidine-2,4-dione

C37H40N4O6 — CID 139722449

IUPAC5-[2-[4-methoxy-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-oxazolidine-2,4-dione
SMILESCOc1ccc(CCC2OC(=O)N(CCCN3CCN(c4ccccc4)CC3)C2=O)cc1OCc1coc(/C=C/c2ccccc2)n1
InChIInChI=1S/C37H40N4O6/c1-44-32-16-13-29(25-34(32)45-26-30-27-46-35(38-30)18-15-28-9-4-2-5-10-28)14-17-33-36(42)41(37(43)47-33)20-8-19-39-21-23-40(24-22-39)31-11-6-3-7-12-31/h2-7,9-13,15-16,18,25,27,33H,8,14,17,19-24,26H2,1H3/b18-15+
InChIKeyJYJDPOAZLPUDOL-OBGWFSINSA-N
MW636.75 g/mol
LogP5.92
Rot. Bonds14

About 5-[2-[4-methoxy-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-oxazolidine-2,4-dione

5-[2-[4-methoxy-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-oxazolidine-2,4-dione (PubChem CID 139722449) has the molecular formula C37H40N4O6 and a molecular weight of 636.75 g/mol. Its IUPAC name is 5-[2-[4-methoxy-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5-[2-[4-methoxy-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-oxazolidine-2,4-dione
PubChem CID139722449
Molecular FormulaC37H40N4O6
Molecular Weight636.75 g/mol
Exact Mass636.29
IUPAC Name5-[2-[4-methoxy-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-oxazolidine-2,4-dione
SMILESCOc1ccc(CCC2OC(=O)N(CCCN3CCN(c4ccccc4)CC3)C2=O)cc1OCc1coc(/C=C/c2ccccc2)n1
InChIInChI=1S/C37H40N4O6/c1-44-32-16-13-29(25-34(32)45-26-30-27-46-35(38-30)18-15-28-9-4-2-5-10-28)14-17-33-36(42)41(37(43)47-33)20-8-19-39-21-23-40(24-22-39)31-11-6-3-7-12-31/h2-7,9-13,15-16,18,25,27,33H,8,14,17,19-24,26H2,1H3/b18-15+
InChIKeyJYJDPOAZLPUDOL-OBGWFSINSA-N
XLogP5.92
TPSA97.58 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.75
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-[2-[4-methoxy-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-oxazolidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-methoxy-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5-[2-[4-methoxy-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-oxazolidine-2,4-dione (CID 139722449) is 5-[2-[4-methoxy-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5-[2-[4-methoxy-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5-[2-[4-methoxy-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-oxazolidine-2,4-dione is COc1ccc(CCC2OC(=O)N(CCCN3CCN(c4ccccc4)CC3)C2=O)cc1OCc1coc(/C=C/c2ccccc2)n1.
What is the InChIKey of 5-[2-[4-methoxy-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-oxazolidine-2,4-dione?
The InChIKey is JYJDPOAZLPUDOL-OBGWFSINSA-N. The full InChI is InChI=1S/C37H40N4O6/c1-44-32-16-13-29(25-34(32)45-26-30-27-46-35(38-30)18-15-28-9-4-2-5-10-28)14-17-33-36(42)41(37(43)47-33)20-8-19-39-21-23-40(24-22-39)31-11-6-3-7-12-31/h2-7,9-13,15-16,18,25,27,33H,8,14,17,19-24,26H2,1H3/b18-15+.
What are the key properties of 5-[2-[4-methoxy-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-oxazolidine-2,4-dione?
5-[2-[4-methoxy-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 636.75 g/mol, XLogP of 5.92, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-methoxy-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 139722449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).