1-[2-[4-hydroxy-3-(2-methylpropoxy)phenyl]-1,3-oxazol-4-yl]ethanone

C15H17NO4 — CID 136999817

IUPAC1-[2-[4-hydroxy-3-(2-methylpropoxy)phenyl]-1,3-oxazol-4-yl]ethanone
SMILESCC(=O)c1coc(-c2ccc(O)c(OCC(C)C)c2)n1
InChIInChI=1S/C15H17NO4/c1-9(2)7-19-14-6-11(4-5-13(14)18)15-16-12(8-20-15)10(3)17/h4-6,8-9,18H,7H2,1-3H3
InChIKeyYIVSHYCSHOHKLJ-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.28
Rot. Bonds5

About 1-[2-[4-hydroxy-3-(2-methylpropoxy)phenyl]-1,3-oxazol-4-yl]ethanone

1-[2-[4-hydroxy-3-(2-methylpropoxy)phenyl]-1,3-oxazol-4-yl]ethanone (PubChem CID 136999817) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 1-[2-[4-hydroxy-3-(2-methylpropoxy)phenyl]-1,3-oxazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-[4-hydroxy-3-(2-methylpropoxy)phenyl]-1,3-oxazol-4-yl]ethanone
PubChem CID136999817
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name1-[2-[4-hydroxy-3-(2-methylpropoxy)phenyl]-1,3-oxazol-4-yl]ethanone
SMILESCC(=O)c1coc(-c2ccc(O)c(OCC(C)C)c2)n1
InChIInChI=1S/C15H17NO4/c1-9(2)7-19-14-6-11(4-5-13(14)18)15-16-12(8-20-15)10(3)17/h4-6,8-9,18H,7H2,1-3H3
InChIKeyYIVSHYCSHOHKLJ-UHFFFAOYSA-N
XLogP3.28
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-[4-hydroxy-3-(2-methylpropoxy)phenyl]-1,3-oxazol-4-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(4-Hydroxyphenyl)-1,3-oxazol-2-yl]phenol
CID 25192184
(2-Phenyl-4-oxazolyl)(3,4,5-trimethoxyphenyl)methanone
CID 53363700
2-(3-Butoxy-4-hydroxy-phenyl)-benzooxazol-6-ol
CID 135454786
2-Methoxy-5-[2-methyl-5-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]phenol
CID 11046906
3-[4-(2-Hydroxyphenyl)-1,3-oxazol-2-yl]benzene-1,2-diol
CID 164618233
4-[5-(Hydroxymethyl)-1,3-benzoxazol-2-yl]-2-methoxyphenol
CID 155537588
n-[2-(4-Difluoromethoxy-3-isobutoxyphenyl)oxazol-4-ylmethyl]-2-ethoxybenzamide
CID 25142154
[2-[3,4-Bis(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]methanamine
CID 57855704
3-[2-(3,4-Diethoxyphenyl)-1,3-oxazol-4-yl]-1-(2-ethoxy-4-fluorophenyl)propan-1-one
CID 57855722
N-[[2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1,3-oxazol-4-yl]methyl]-4-fluoro-2-methoxybenzamide
CID 57855739
1-(2-Fluoroethoxyphenyl)-3-[2-(3-isopropoxy-4-methoxyphenyl)oxazol-4-yl]propan-1-one
CID 57855742
1-(2-Difluoromethoxyphenyl)-3-[2-(3-ethoxy-4-methoxyphenyl)oxazol-4-yl]propan-1-one
CID 57855744

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-hydroxy-3-(2-methylpropoxy)phenyl]-1,3-oxazol-4-yl]ethanone?
The IUPAC name of 1-[2-[4-hydroxy-3-(2-methylpropoxy)phenyl]-1,3-oxazol-4-yl]ethanone (CID 136999817) is 1-[2-[4-hydroxy-3-(2-methylpropoxy)phenyl]-1,3-oxazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-[4-hydroxy-3-(2-methylpropoxy)phenyl]-1,3-oxazol-4-yl]ethanone?
The canonical SMILES for 1-[2-[4-hydroxy-3-(2-methylpropoxy)phenyl]-1,3-oxazol-4-yl]ethanone is CC(=O)c1coc(-c2ccc(O)c(OCC(C)C)c2)n1.
What is the InChIKey of 1-[2-[4-hydroxy-3-(2-methylpropoxy)phenyl]-1,3-oxazol-4-yl]ethanone?
The InChIKey is YIVSHYCSHOHKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-9(2)7-19-14-6-11(4-5-13(14)18)15-16-12(8-20-15)10(3)17/h4-6,8-9,18H,7H2,1-3H3.
What are the key properties of 1-[2-[4-hydroxy-3-(2-methylpropoxy)phenyl]-1,3-oxazol-4-yl]ethanone?
1-[2-[4-hydroxy-3-(2-methylpropoxy)phenyl]-1,3-oxazol-4-yl]ethanone has a molecular weight of 275.30 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-hydroxy-3-(2-methylpropoxy)phenyl]-1,3-oxazol-4-yl]ethanone is sourced from PubChem (CID 136999817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).