methyl (4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate

C11H11NO4 — CID 137147482

IUPACmethyl (4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCOC(=O)[C@H]1COC(c2ccccc2O)=N1
InChIInChI=1S/C11H11NO4/c1-15-11(14)8-6-16-10(12-8)7-4-2-3-5-9(7)13/h2-5,8,13H,6H2,1H3/t8-/m1/s1
InChIKeySGSHYKDUQCOWPH-MRVPVSSYSA-N
MW221.21 g/mol
LogP0.71
Rot. Bonds2

About methyl (4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate

methyl (4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate (PubChem CID 137147482) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is methyl (4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
PubChem CID137147482
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Namemethyl (4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCOC(=O)[C@H]1COC(c2ccccc2O)=N1
InChIInChI=1S/C11H11NO4/c1-15-11(14)8-6-16-10(12-8)7-4-2-3-5-9(7)13/h2-5,8,13H,6H2,1H3/t8-/m1/s1
InChIKeySGSHYKDUQCOWPH-MRVPVSSYSA-N
XLogP0.71
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Methyl (S)-(+)-4,5-dihydro-2-phenyl-4-oxazolecarboxylate
CID 11074512
Spoxazomicin D
CID 137634031
Methyl 2-(2-hydroxyphenyl)-4,5-dihydrooxazole-4-carboxylate
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CID 3609401
Methyl-2-(2'-hydroxyphenyl)-2-oxazoline-
CID 135623861
2-(4,5-Dihydro-1,3-oxazol-2-yl)phenol
CID 346894
N-[(Z)-(2,4-dioxo-2H-chromen-3(4H)-ylidene)methyl]serine
CID 135472769
ethyl (4R,5R)-2-(4-chloro-2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate
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N-(2-hydroxybenzylidene)valine
CID 364251

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl (4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate (CID 137147482) is methyl (4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl (4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl (4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate is COC(=O)[C@H]1COC(c2ccccc2O)=N1.
What is the InChIKey of methyl (4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate?
The InChIKey is SGSHYKDUQCOWPH-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H11NO4/c1-15-11(14)8-6-16-10(12-8)7-4-2-3-5-9(7)13/h2-5,8,13H,6H2,1H3/t8-/m1/s1.
What are the key properties of methyl (4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate?
methyl (4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate has a molecular weight of 221.21 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 137147482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).