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

C26H32N2O4 — CID 13015328

IUPAC4-[3-[[2-hydroxy-3-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propyl]amino]-3-methylbutyl]phenol
SMILESCc1cc(/C=C/c2ccccc2OCC(O)CNC(C)(C)CCc2ccc(O)cc2)on1
InChIInChI=1S/C26H32N2O4/c1-19-16-24(32-28-19)13-10-21-6-4-5-7-25(21)31-18-23(30)17-27-26(2,3)15-14-20-8-11-22(29)12-9-20/h4-13,16,23,27,29-30H,14-15,17-18H2,1-3H3/b13-10+
InChIKeyHIIBKFZBLMQTJU-JLHYYAGUSA-N
MW436.55 g/mol
LogP4.60
Rot. Bonds11

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

4-[3-[[2-hydroxy-3-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propyl]amino]-3-methylbutyl]phenol (PubChem CID 13015328) has the molecular formula C26H32N2O4 and a molecular weight of 436.55 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]-3-methylbutyl]phenol.

Molecular Properties

Compound Name4-[3-[[2-hydroxy-3-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propyl]amino]-3-methylbutyl]phenol
PubChem CID13015328
Molecular FormulaC26H32N2O4
Molecular Weight436.55 g/mol
Exact Mass436.24
IUPAC Name4-[3-[[2-hydroxy-3-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propyl]amino]-3-methylbutyl]phenol
SMILESCc1cc(/C=C/c2ccccc2OCC(O)CNC(C)(C)CCc2ccc(O)cc2)on1
InChIInChI=1S/C26H32N2O4/c1-19-16-24(32-28-19)13-10-21-6-4-5-7-25(21)31-18-23(30)17-27-26(2,3)15-14-20-8-11-22(29)12-9-20/h4-13,16,23,27,29-30H,14-15,17-18H2,1-3H3/b13-10+
InChIKeyHIIBKFZBLMQTJU-JLHYYAGUSA-N
XLogP4.60
TPSA87.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

CID 44522842
CID 44522842
CID 6443854
CID 6443854
CID 16191478
CID 16191478
CID 75536399
CID 75536399
CID 75536406
CID 75536406
CID 17906310
CID 17906310
CID 12894261
CID 12894261
CID 13015322
CID 13015322
CID 13015324
CID 13015324
CID 13015325
CID 13015325
CID 13015326
CID 13015326
CID 13015327
CID 13015327

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]-3-methylbutyl]phenol?
The IUPAC name of 4-[3-[[2-hydroxy-3-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propyl]amino]-3-methylbutyl]phenol (CID 13015328) is 4-[3-[[2-hydroxy-3-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propyl]amino]-3-methylbutyl]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]-3-methylbutyl]phenol?
The canonical SMILES for 4-[3-[[2-hydroxy-3-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propyl]amino]-3-methylbutyl]phenol is Cc1cc(/C=C/c2ccccc2OCC(O)CNC(C)(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]-3-methylbutyl]phenol?
The InChIKey is HIIBKFZBLMQTJU-JLHYYAGUSA-N. The full InChI is InChI=1S/C26H32N2O4/c1-19-16-24(32-28-19)13-10-21-6-4-5-7-25(21)31-18-23(30)17-27-26(2,3)15-14-20-8-11-22(29)12-9-20/h4-13,16,23,27,29-30H,14-15,17-18H2,1-3H3/b13-10+.
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]-3-methylbutyl]phenol?
4-[3-[[2-hydroxy-3-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]propyl]amino]-3-methylbutyl]phenol has a molecular weight of 436.55 g/mol, XLogP of 4.60, 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]-3-methylbutyl]phenol is sourced from PubChem (CID 13015328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).