[3,5-bis[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]methanol

C27H22N2O5 — CID 2748900

IUPAC[3,5-bis[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]methanol
SMILESOCc1cc(OCc2cc(-c3ccccc3)no2)cc(OCc2cc(-c3ccccc3)no2)c1
InChIInChI=1S/C27H22N2O5/c30-16-19-11-22(31-17-24-14-26(28-33-24)20-7-3-1-4-8-20)13-23(12-19)32-18-25-15-27(29-34-25)21-9-5-2-6-10-21/h1-15,30H,16-18H2
InChIKeyMUNYKAKNYPUVNS-UHFFFAOYSA-N
MW454.48 g/mol
LogP5.65
Rot. Bonds9

About [3,5-bis[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]methanol

[3,5-bis[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]methanol (PubChem CID 2748900) has the molecular formula C27H22N2O5 and a molecular weight of 454.48 g/mol. Its IUPAC name is [3,5-bis[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3,5-bis[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]methanol
PubChem CID2748900
Molecular FormulaC27H22N2O5
Molecular Weight454.48 g/mol
Exact Mass454.15
IUPAC Name[3,5-bis[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]methanol
SMILESOCc1cc(OCc2cc(-c3ccccc3)no2)cc(OCc2cc(-c3ccccc3)no2)c1
InChIInChI=1S/C27H22N2O5/c30-16-19-11-22(31-17-24-14-26(28-33-24)20-7-3-1-4-8-20)13-23(12-19)32-18-25-15-27(29-34-25)21-9-5-2-6-10-21/h1-15,30H,16-18H2
InChIKeyMUNYKAKNYPUVNS-UHFFFAOYSA-N
XLogP5.65
TPSA90.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.48
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(phenoxymethyl)-3-phenyl-1,2-oxazole
CID 1480808
5-[(2-iodophenoxy)methyl]-3-phenyl-1,2-oxazole
CID 60522936
2-[(3-phenyl-1,2-oxazol-5-yl)methoxy]aniline
CID 61027686
2-methyl-2-[4-[[3-(4-phenylphenyl)-1,2-oxazol-5-yl]methoxy]phenoxy]propanoic acid
CID 11502852
[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol
CID 15385707
3-phenyl-5-[[4-[10,15,20-tris[4-[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24-tetracosahydroporphyrin-5-yl]phenoxy]methyl]-1,2-oxazole
CID 45005556
3,4-dimethyl-7-[(3-phenyl-1,2-oxazol-5-yl)methoxy]chromen-2-one
CID 15066975
5-[(4-chloro-2-methylphenoxy)methyl]-3-phenyl-1,2-oxazole
CID 1484373
5-[(2-chloro-4-fluorophenoxy)methyl]-3-phenyl-1,2-oxazole
CID 134010105
2-[3-(hydroxymethyl)-5-phenylmethoxyphenoxy]-1-phenylethanone
CID 101175069
(4R)-3-[[4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-4-carboxylic acid
CID 25074033
3-[[4-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-4-carboxylic acid
CID 69197842

Frequently Asked Questions

What is the IUPAC name of [3,5-bis[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]methanol?
The IUPAC name of [3,5-bis[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]methanol (CID 2748900) is [3,5-bis[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]methanol.
What is the SMILES notation for [3,5-bis[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]methanol?
The canonical SMILES for [3,5-bis[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]methanol is OCc1cc(OCc2cc(-c3ccccc3)no2)cc(OCc2cc(-c3ccccc3)no2)c1.
What is the InChIKey of [3,5-bis[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]methanol?
The InChIKey is MUNYKAKNYPUVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O5/c30-16-19-11-22(31-17-24-14-26(28-33-24)20-7-3-1-4-8-20)13-23(12-19)32-18-25-15-27(29-34-25)21-9-5-2-6-10-21/h1-15,30H,16-18H2.
What are the key properties of [3,5-bis[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]methanol?
[3,5-bis[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]methanol has a molecular weight of 454.48 g/mol, XLogP of 5.65, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis[(3-phenyl-1,2-oxazol-5-yl)methoxy]phenyl]methanol is sourced from PubChem (CID 2748900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).