1-[2-[(3-methoxyphenyl)methyl]-1,3-oxazol-4-yl]ethanol

C13H15NO3 — CID 115083702

IUPAC1-[2-[(3-methoxyphenyl)methyl]-1,3-oxazol-4-yl]ethanol
SMILESCOc1cccc(Cc2nc(C(C)O)co2)c1
InChIInChI=1S/C13H15NO3/c1-9(15)12-8-17-13(14-12)7-10-4-3-5-11(6-10)16-2/h3-6,8-9,15H,7H2,1-2H3
InChIKeyXXIVZDOMWIYJCN-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.33
Rot. Bonds4

About 1-[2-[(3-methoxyphenyl)methyl]-1,3-oxazol-4-yl]ethanol

1-[2-[(3-methoxyphenyl)methyl]-1,3-oxazol-4-yl]ethanol (PubChem CID 115083702) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-[2-[(3-methoxyphenyl)methyl]-1,3-oxazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[2-[(3-methoxyphenyl)methyl]-1,3-oxazol-4-yl]ethanol
PubChem CID115083702
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name1-[2-[(3-methoxyphenyl)methyl]-1,3-oxazol-4-yl]ethanol
SMILESCOc1cccc(Cc2nc(C(C)O)co2)c1
InChIInChI=1S/C13H15NO3/c1-9(15)12-8-17-13(14-12)7-10-4-3-5-11(6-10)16-2/h3-6,8-9,15H,7H2,1-2H3
InChIKeyXXIVZDOMWIYJCN-UHFFFAOYSA-N
XLogP2.33
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(3-methoxyphenyl)methyl]-1,3-oxazol-4-yl]-N-methylethanamine
CID 115083796
2-[(3-methoxyphenyl)methyl]-1,3-oxazole-4-carboxylic acid
CID 115083847
1-[2-[(3-methoxyphenyl)methyl]-1,3-oxazol-4-yl]-N-methylpropan-2-amine
CID 115083827
1-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 62653786
1-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 62627840
3-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-one
CID 63344301
1-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 61324401
2-bromo-6-[(3-methoxyphenyl)methyl]pyridine
CID 54045863
2-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]acetic acid
CID 61272827
1-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-one
CID 63346314
4-methyl-2-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole
CID 123620380
2-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 61262732

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-methoxyphenyl)methyl]-1,3-oxazol-4-yl]ethanol?
The IUPAC name of 1-[2-[(3-methoxyphenyl)methyl]-1,3-oxazol-4-yl]ethanol (CID 115083702) is 1-[2-[(3-methoxyphenyl)methyl]-1,3-oxazol-4-yl]ethanol.
What is the SMILES notation for 1-[2-[(3-methoxyphenyl)methyl]-1,3-oxazol-4-yl]ethanol?
The canonical SMILES for 1-[2-[(3-methoxyphenyl)methyl]-1,3-oxazol-4-yl]ethanol is COc1cccc(Cc2nc(C(C)O)co2)c1.
What is the InChIKey of 1-[2-[(3-methoxyphenyl)methyl]-1,3-oxazol-4-yl]ethanol?
The InChIKey is XXIVZDOMWIYJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-9(15)12-8-17-13(14-12)7-10-4-3-5-11(6-10)16-2/h3-6,8-9,15H,7H2,1-2H3.
What are the key properties of 1-[2-[(3-methoxyphenyl)methyl]-1,3-oxazol-4-yl]ethanol?
1-[2-[(3-methoxyphenyl)methyl]-1,3-oxazol-4-yl]ethanol has a molecular weight of 233.27 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-methoxyphenyl)methyl]-1,3-oxazol-4-yl]ethanol is sourced from PubChem (CID 115083702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).