4-[3-[[2-hydroxy-3-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propyl]amino]butyl]phenol

C25H30N2O4 — CID 13015327

IUPAC4-[3-[[2-hydroxy-3-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propyl]amino]butyl]phenol
SMILESCc1cc(/C=C/c2ccccc2OCC(O)CNC(C)CCc2ccc(O)cc2)on1
InChIInChI=1S/C25H30N2O4/c1-18(7-8-20-9-12-22(28)13-10-20)26-16-23(29)17-30-25-6-4-3-5-21(25)11-14-24-15-19(2)27-31-24/h3-6,9-15,18,23,26,28-29H,7-8,16-17H2,1-2H3/b14-11+
InChIKeySRGALVVKLPDAAI-SDNWHVSQSA-N
MW422.53 g/mol
LogP4.21
Rot. Bonds11

About 4-[3-[[2-hydroxy-3-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propyl]amino]butyl]phenol

4-[3-[[2-hydroxy-3-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propyl]amino]butyl]phenol (PubChem CID 13015327) has the molecular formula C25H30N2O4 and a molecular weight of 422.53 g/mol. Its IUPAC name is 4-[3-[[2-hydroxy-3-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propyl]amino]butyl]phenol.

Molecular Properties

Compound Name4-[3-[[2-hydroxy-3-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propyl]amino]butyl]phenol
PubChem CID13015327
Molecular FormulaC25H30N2O4
Molecular Weight422.53 g/mol
Exact Mass422.22
IUPAC Name4-[3-[[2-hydroxy-3-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propyl]amino]butyl]phenol
SMILESCc1cc(/C=C/c2ccccc2OCC(O)CNC(C)CCc2ccc(O)cc2)on1
InChIInChI=1S/C25H30N2O4/c1-18(7-8-20-9-12-22(28)13-10-20)26-16-23(29)17-30-25-6-4-3-5-21(25)11-14-24-15-19(2)27-31-24/h3-6,9-15,18,23,26,28-29H,7-8,16-17H2,1-2H3/b14-11+
InChIKeySRGALVVKLPDAAI-SDNWHVSQSA-N
XLogP4.21
TPSA87.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[3-[[2-hydroxy-3-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propyl]amino]butyl]phenol with MolForge

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Related Compounds

CID 5272159
CID 5272159
CID 44423640
CID 44423640
CID 44423641
CID 44423641
CID 44423643
CID 44423643
CID 44423644
CID 44423644
CID 44423645
CID 44423645
CID 44423646
CID 44423646
CID 44522842
CID 44522842
CID 6443854
CID 6443854
CID 16191478
CID 16191478
CID 75536399
CID 75536399
CID 75536406
CID 75536406

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[2-hydroxy-3-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propyl]amino]butyl]phenol?
The IUPAC name of 4-[3-[[2-hydroxy-3-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propyl]amino]butyl]phenol (CID 13015327) is 4-[3-[[2-hydroxy-3-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propyl]amino]butyl]phenol.
What is the SMILES notation for 4-[3-[[2-hydroxy-3-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propyl]amino]butyl]phenol?
The canonical SMILES for 4-[3-[[2-hydroxy-3-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propyl]amino]butyl]phenol is Cc1cc(/C=C/c2ccccc2OCC(O)CNC(C)CCc2ccc(O)cc2)on1.
What is the InChIKey of 4-[3-[[2-hydroxy-3-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propyl]amino]butyl]phenol?
The InChIKey is SRGALVVKLPDAAI-SDNWHVSQSA-N. The full InChI is InChI=1S/C25H30N2O4/c1-18(7-8-20-9-12-22(28)13-10-20)26-16-23(29)17-30-25-6-4-3-5-21(25)11-14-24-15-19(2)27-31-24/h3-6,9-15,18,23,26,28-29H,7-8,16-17H2,1-2H3/b14-11+.
What are the key properties of 4-[3-[[2-hydroxy-3-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propyl]amino]butyl]phenol?
4-[3-[[2-hydroxy-3-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propyl]amino]butyl]phenol has a molecular weight of 422.53 g/mol, XLogP of 4.21, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[2-hydroxy-3-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propyl]amino]butyl]phenol is sourced from PubChem (CID 13015327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).