4-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]benzene-1,3-diol

C10H11NO3 — CID 137264882

IUPAC4-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]benzene-1,3-diol
SMILESC[C@@H]1COC(c2ccc(O)cc2O)=N1
InChIInChI=1S/C10H11NO3/c1-6-5-14-10(11-6)8-3-2-7(12)4-9(8)13/h2-4,6,12-13H,5H2,1H3/t6-/m1/s1
InChIKeyGCSIBTNGMOYOMH-ZCFIWIBFSA-N
MW193.20 g/mol
LogP1.26
Rot. Bonds1

About 4-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]benzene-1,3-diol

4-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]benzene-1,3-diol (PubChem CID 137264882) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 4-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]benzene-1,3-diol
PubChem CID137264882
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name4-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]benzene-1,3-diol
SMILESC[C@@H]1COC(c2ccc(O)cc2O)=N1
InChIInChI=1S/C10H11NO3/c1-6-5-14-10(11-6)8-3-2-7(12)4-9(8)13/h2-4,6,12-13H,5H2,1H3/t6-/m1/s1
InChIKeyGCSIBTNGMOYOMH-ZCFIWIBFSA-N
XLogP1.26
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]benzene-1,3-diol?
The IUPAC name of 4-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]benzene-1,3-diol (CID 137264882) is 4-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]benzene-1,3-diol?
The canonical SMILES for 4-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]benzene-1,3-diol is C[C@@H]1COC(c2ccc(O)cc2O)=N1.
What is the InChIKey of 4-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]benzene-1,3-diol?
The InChIKey is GCSIBTNGMOYOMH-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H11NO3/c1-6-5-14-10(11-6)8-3-2-7(12)4-9(8)13/h2-4,6,12-13H,5H2,1H3/t6-/m1/s1.
What are the key properties of 4-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]benzene-1,3-diol?
4-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]benzene-1,3-diol has a molecular weight of 193.20 g/mol, XLogP of 1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]benzene-1,3-diol is sourced from PubChem (CID 137264882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).