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

C13H14FNO4 — CID 162651364

IUPACethyl (4R,5R)-2-(5-fluoro-2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)[C@@H]1N=C(c2cc(F)ccc2O)O[C@@H]1C
InChIInChI=1S/C13H14FNO4/c1-3-18-13(17)11-7(2)19-12(15-11)9-6-8(14)4-5-10(9)16/h4-7,11,16H,3H2,1-2H3/t7-,11-/m1/s1
InChIKeyROQLGBDXNOZEJP-RDDDGLTNSA-N
MW267.26 g/mol
LogP1.63
Rot. Bonds3

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

ethyl (4R,5R)-2-(5-fluoro-2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate (PubChem CID 162651364) has the molecular formula C13H14FNO4 and a molecular weight of 267.26 g/mol. Its IUPAC name is ethyl (4R,5R)-2-(5-fluoro-2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl (4R,5R)-2-(5-fluoro-2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate
PubChem CID162651364
Molecular FormulaC13H14FNO4
Molecular Weight267.26 g/mol
Exact Mass267.09
IUPAC Nameethyl (4R,5R)-2-(5-fluoro-2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)[C@@H]1N=C(c2cc(F)ccc2O)O[C@@H]1C
InChIInChI=1S/C13H14FNO4/c1-3-18-13(17)11-7(2)19-12(15-11)9-6-8(14)4-5-10(9)16/h4-7,11,16H,3H2,1-2H3/t7-,11-/m1/s1
InChIKeyROQLGBDXNOZEJP-RDDDGLTNSA-N
XLogP1.63
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Nocazoline A
CID 136099212
Spoxazomicin D
CID 137634031
Methyl 2-(2-hydroxyphenyl)-4,5-dihydrooxazole-4-carboxylate
CID 135531471
Methyl-2-(2'-hydroxyphenyl)-2-oxazoline-
CID 135623861
2-(4,5-Dihydro-1,3-oxazol-2-yl)phenol
CID 346894
ethyl (4R,5R)-2-(4-chloro-2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 162647002
(4S,5S)-5-methyl-2-phenyl-4,5-dihydrooxazole-4-carboxylic acid
CID 46889284
(S)-2-(2-hydroxyphenyl)-4,5-dihydrooxazole-4-carboxylic acid
CID 135474612
Leptazoline C
CID 145994625
Spoxazomicin C
CID 136065872
(S)-2-(2-hydroxyphenyl)-4-hydroxymethyl-4,5-dihydrooxazole
CID 136380875
Vulnibactin 2
CID 136444984

Frequently Asked Questions

What is the IUPAC name of ethyl (4R,5R)-2-(5-fluoro-2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl (4R,5R)-2-(5-fluoro-2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate (CID 162651364) is ethyl (4R,5R)-2-(5-fluoro-2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl (4R,5R)-2-(5-fluoro-2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl (4R,5R)-2-(5-fluoro-2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate is CCOC(=O)[C@@H]1N=C(c2cc(F)ccc2O)O[C@@H]1C.
What is the InChIKey of ethyl (4R,5R)-2-(5-fluoro-2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
The InChIKey is ROQLGBDXNOZEJP-RDDDGLTNSA-N. The full InChI is InChI=1S/C13H14FNO4/c1-3-18-13(17)11-7(2)19-12(15-11)9-6-8(14)4-5-10(9)16/h4-7,11,16H,3H2,1-2H3/t7-,11-/m1/s1.
What are the key properties of ethyl (4R,5R)-2-(5-fluoro-2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate?
ethyl (4R,5R)-2-(5-fluoro-2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate has a molecular weight of 267.26 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R,5R)-2-(5-fluoro-2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 162651364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).