4-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]-2,4-dimethylpentan-2-ol

C23H27NO3 — CID 142115095

IUPAC4-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]-2,4-dimethylpentan-2-ol
SMILESCC(C)(O)CC(C)(C)OCc1nc(-c2ccccc2)oc1-c1ccccc1
InChIInChI=1S/C23H27NO3/c1-22(2,25)16-23(3,4)26-15-19-20(17-11-7-5-8-12-17)27-21(24-19)18-13-9-6-10-14-18/h5-14,25H,15-16H2,1-4H3
InChIKeyXQKMAWDVSKPWSL-UHFFFAOYSA-N
MW365.47 g/mol
LogP5.46
Rot. Bonds7

About 4-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]-2,4-dimethylpentan-2-ol

4-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]-2,4-dimethylpentan-2-ol (PubChem CID 142115095) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is 4-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name4-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]-2,4-dimethylpentan-2-ol
PubChem CID142115095
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name4-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]-2,4-dimethylpentan-2-ol
SMILESCC(C)(O)CC(C)(C)OCc1nc(-c2ccccc2)oc1-c1ccccc1
InChIInChI=1S/C23H27NO3/c1-22(2,25)16-23(3,4)26-15-19-20(17-11-7-5-8-12-17)27-21(24-19)18-13-9-6-10-14-18/h5-14,25H,15-16H2,1-4H3
InChIKeyXQKMAWDVSKPWSL-UHFFFAOYSA-N
XLogP5.46
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.47
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(iodomethyl)-2-(4-methylphenyl)-5-phenyl-1,3-oxazole
CID 57434504
2-methyl-2-[[3-[[2-(4-methylphenyl)-5-phenyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]propanoic acid
CID 58934250
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl N-tert-butylcarbamate
CID 174457972
2,5-diphenyl-4-prop-2-enyl-1,3-oxazole
CID 10869047
6-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]hexyl butanoate
CID 10112932
ethyl 2-[4-(4-ethoxycarbonyl-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylate
CID 54770782
4-(iodomethyl)-2-(4-methylphenyl)-5-phenyl-1,3-oxazole;2-methyl-2-[[(1R,3S)-3-[[2-(4-methylphenyl)-5-phenyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]methoxy]propanoic acid
CID 69344064
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanamine
CID 15616431
5-methyl-2,6-diphenyl-1,3-oxazin-4-one
CID 13028435
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetaldehyde
CID 18984662
3-[3-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]-2-methyl-N-(methylamino)anilino]propanoic acid
CID 142934837
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl naphthalene-1-carboxylate
CID 16588864

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]-2,4-dimethylpentan-2-ol?
The IUPAC name of 4-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]-2,4-dimethylpentan-2-ol (CID 142115095) is 4-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 4-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]-2,4-dimethylpentan-2-ol?
The canonical SMILES for 4-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]-2,4-dimethylpentan-2-ol is CC(C)(O)CC(C)(C)OCc1nc(-c2ccccc2)oc1-c1ccccc1.
What is the InChIKey of 4-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]-2,4-dimethylpentan-2-ol?
The InChIKey is XQKMAWDVSKPWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3/c1-22(2,25)16-23(3,4)26-15-19-20(17-11-7-5-8-12-17)27-21(24-19)18-13-9-6-10-14-18/h5-14,25H,15-16H2,1-4H3.
What are the key properties of 4-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]-2,4-dimethylpentan-2-ol?
4-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]-2,4-dimethylpentan-2-ol has a molecular weight of 365.47 g/mol, XLogP of 5.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-diphenyl-1,3-oxazol-4-yl)methoxy]-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 142115095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).