2-[[4-(2-hydroxypropyl)-1,3-oxazol-2-yl]methyl]phenol

C13H15NO3 — CID 115083902

IUPAC2-[[4-(2-hydroxypropyl)-1,3-oxazol-2-yl]methyl]phenol
SMILESCC(O)Cc1coc(Cc2ccccc2O)n1
InChIInChI=1S/C13H15NO3/c1-9(15)6-11-8-17-13(14-11)7-10-4-2-3-5-12(10)16/h2-5,8-9,15-16H,6-7H2,1H3
InChIKeyVOQAEDVOBGJLFU-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.89
Rot. Bonds4

About 2-[[4-(2-hydroxypropyl)-1,3-oxazol-2-yl]methyl]phenol

2-[[4-(2-hydroxypropyl)-1,3-oxazol-2-yl]methyl]phenol (PubChem CID 115083902) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-[[4-(2-hydroxypropyl)-1,3-oxazol-2-yl]methyl]phenol.

Molecular Properties

Compound Name2-[[4-(2-hydroxypropyl)-1,3-oxazol-2-yl]methyl]phenol
PubChem CID115083902
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name2-[[4-(2-hydroxypropyl)-1,3-oxazol-2-yl]methyl]phenol
SMILESCC(O)Cc1coc(Cc2ccccc2O)n1
InChIInChI=1S/C13H15NO3/c1-9(15)6-11-8-17-13(14-11)7-10-4-2-3-5-12(10)16/h2-5,8-9,15-16H,6-7H2,1H3
InChIKeyVOQAEDVOBGJLFU-UHFFFAOYSA-N
XLogP1.89
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(1-hydroxyethyl)-1,3-oxazol-2-yl]methyl]phenol
CID 115083874
1-[2-(2-methylpropyl)-1,3-oxazol-4-yl]propan-2-ol
CID 115084190
2-[(2-hydroxyphenyl)methyl]-1,3-oxazole-4-carboxylic acid
CID 115084007
2-[[5-(1-hydroxyethyl)-1,3-oxazol-2-yl]methyl]phenol
CID 115086774
2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 80740542
2-[[5-(2-hydroxypropyl)-1,3-thiazol-2-yl]methyl]phenol
CID 115091474
(2R,3R)-2,3-dihydroxy-N-[[4-[(2-hydroxyphenyl)methyl]-1,3-oxazol-2-yl]methyl]-N'-methyl-N'-[(1R)-1-phenylethyl]butanediamide
CID 70329201
1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]propan-2-ol
CID 115082297
2-[(3-butan-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenol
CID 80740766
1-[2-(4-methylphenyl)-1,3-oxazol-4-yl]propan-2-ol
CID 115084513
2-[2-[(2-bromophenyl)methyl]-1,3-oxazol-4-yl]acetic acid
CID 115084012
2-[2-[(2-chlorophenyl)methyl]-1,3-oxazol-4-yl]propan-1-ol
CID 115083926

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-hydroxypropyl)-1,3-oxazol-2-yl]methyl]phenol?
The IUPAC name of 2-[[4-(2-hydroxypropyl)-1,3-oxazol-2-yl]methyl]phenol (CID 115083902) is 2-[[4-(2-hydroxypropyl)-1,3-oxazol-2-yl]methyl]phenol.
What is the SMILES notation for 2-[[4-(2-hydroxypropyl)-1,3-oxazol-2-yl]methyl]phenol?
The canonical SMILES for 2-[[4-(2-hydroxypropyl)-1,3-oxazol-2-yl]methyl]phenol is CC(O)Cc1coc(Cc2ccccc2O)n1.
What is the InChIKey of 2-[[4-(2-hydroxypropyl)-1,3-oxazol-2-yl]methyl]phenol?
The InChIKey is VOQAEDVOBGJLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-9(15)6-11-8-17-13(14-11)7-10-4-2-3-5-12(10)16/h2-5,8-9,15-16H,6-7H2,1H3.
What are the key properties of 2-[[4-(2-hydroxypropyl)-1,3-oxazol-2-yl]methyl]phenol?
2-[[4-(2-hydroxypropyl)-1,3-oxazol-2-yl]methyl]phenol has a molecular weight of 233.27 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-hydroxypropyl)-1,3-oxazol-2-yl]methyl]phenol is sourced from PubChem (CID 115083902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).