(5R)-5-(methoxymethyl)-3-[6-[(3R)-4,4,4-trifluoro-3-hydroxybutoxy]-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one

C16H17F3N2O6 — CID 18667246

IUPAC(5R)-5-(methoxymethyl)-3-[6-[(3R)-4,4,4-trifluoro-3-hydroxybutoxy]-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one
SMILESCOC[C@H]1CN(c2noc3cc(OCC[C@@H](O)C(F)(F)F)ccc23)C(=O)O1
InChIInChI=1S/C16H17F3N2O6/c1-24-8-10-7-21(15(23)26-10)14-11-3-2-9(6-12(11)27-20-14)25-5-4-13(22)16(17,18)19/h2-3,6,10,13,22H,4-5,7-8H2,1H3/t10-,13-/m1/s1
InChIKeyOKMVOCXMMAQSQW-ZWNOBZJWSA-N
MW390.31 g/mol
LogP2.49
Rot. Bonds7

About (5R)-5-(methoxymethyl)-3-[6-[(3R)-4,4,4-trifluoro-3-hydroxybutoxy]-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one

(5R)-5-(methoxymethyl)-3-[6-[(3R)-4,4,4-trifluoro-3-hydroxybutoxy]-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one (PubChem CID 18667246) has the molecular formula C16H17F3N2O6 and a molecular weight of 390.31 g/mol. Its IUPAC name is (5R)-5-(methoxymethyl)-3-[6-[(3R)-4,4,4-trifluoro-3-hydroxybutoxy]-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(methoxymethyl)-3-[6-[(3R)-4,4,4-trifluoro-3-hydroxybutoxy]-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one
PubChem CID18667246
Molecular FormulaC16H17F3N2O6
Molecular Weight390.31 g/mol
Exact Mass390.10
IUPAC Name(5R)-5-(methoxymethyl)-3-[6-[(3R)-4,4,4-trifluoro-3-hydroxybutoxy]-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one
SMILESCOC[C@H]1CN(c2noc3cc(OCC[C@@H](O)C(F)(F)F)ccc23)C(=O)O1
InChIInChI=1S/C16H17F3N2O6/c1-24-8-10-7-21(15(23)26-10)14-11-3-2-9(6-12(11)27-20-14)25-5-4-13(22)16(17,18)19/h2-3,6,10,13,22H,4-5,7-8H2,1H3/t10-,13-/m1/s1
InChIKeyOKMVOCXMMAQSQW-ZWNOBZJWSA-N
XLogP2.49
TPSA94.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (5R)-5-(methoxymethyl)-3-[6-[(3R)-4,4,4-trifluoro-3-hydroxybutoxy]-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one 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

(5S)-5-(Methoxymethyl)-3-[6-(4,4,4-trifluorobutoxy)-1,2-benzoxazol-3-YL]-1,3-oxazolidin-2-one
CID 9799696
(2R)-2-[3-[[3-(6-methoxy-1,2-benzoxazol-3-yl)-2-oxo-6-(trifluoromethyl)benzimidazol-1-yl]methyl]phenoxy]propanoic acid
CID 56926098
(5S)-3-[6-(3-fluoropropoxy)-1,2-benzoxazol-3-yl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 118720585
(5S)-3-[6-(4-fluorobutoxy)-1,2-benzoxazol-3-yl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 118720586
(5S)-3-[6-(5-fluoropentoxy)-1,2-benzoxazol-3-yl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 118720587
5-(methoxymethyl)-3-[6-(4,4,4-trifluorobutoxy)-1,2-benzoxazol-3-yl]-(211C)1,3-oxazolidin-2-one
CID 168282390
(2R)-2-[3-[[3-(6-methoxy-1,2-benzoxazol-3-yl)-2-oxo-6-(trifluoromethyl)benzimidazol-1-yl]methyl]phenoxy]butanoic acid
CID 56926185
2-[3-(Diethylamino)isoxazol-5-yl]-5-[4-(4,5-dihydrooxazol-2-yl)butoxy]phenol
CID 477822
(5S)-3-[6-(3-(18F)fluoropropoxy)-1,2-benzoxazol-3-yl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
CID 118720588
5-(Methoxymethyl)-3-[6-(4,4,4-trifluorobutoxy)-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one
CID 23212616
N-[(2S)-2-hydroxy-3-methoxypropyl]-6-(4,4,4-trifluorobutoxy)-1,2-benzoxazol-3-amine
CID 71432885
3-[5-(Methoxymethyl)-6-(4,4,4-trifluorobutoxy)-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one
CID 9799695

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(methoxymethyl)-3-[6-[(3R)-4,4,4-trifluoro-3-hydroxybutoxy]-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-(methoxymethyl)-3-[6-[(3R)-4,4,4-trifluoro-3-hydroxybutoxy]-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one (CID 18667246) is (5R)-5-(methoxymethyl)-3-[6-[(3R)-4,4,4-trifluoro-3-hydroxybutoxy]-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-(methoxymethyl)-3-[6-[(3R)-4,4,4-trifluoro-3-hydroxybutoxy]-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-(methoxymethyl)-3-[6-[(3R)-4,4,4-trifluoro-3-hydroxybutoxy]-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one is COC[C@H]1CN(c2noc3cc(OCC[C@@H](O)C(F)(F)F)ccc23)C(=O)O1.
What is the InChIKey of (5R)-5-(methoxymethyl)-3-[6-[(3R)-4,4,4-trifluoro-3-hydroxybutoxy]-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one?
The InChIKey is OKMVOCXMMAQSQW-ZWNOBZJWSA-N. The full InChI is InChI=1S/C16H17F3N2O6/c1-24-8-10-7-21(15(23)26-10)14-11-3-2-9(6-12(11)27-20-14)25-5-4-13(22)16(17,18)19/h2-3,6,10,13,22H,4-5,7-8H2,1H3/t10-,13-/m1/s1.
What are the key properties of (5R)-5-(methoxymethyl)-3-[6-[(3R)-4,4,4-trifluoro-3-hydroxybutoxy]-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one?
(5R)-5-(methoxymethyl)-3-[6-[(3R)-4,4,4-trifluoro-3-hydroxybutoxy]-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one has a molecular weight of 390.31 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(methoxymethyl)-3-[6-[(3R)-4,4,4-trifluoro-3-hydroxybutoxy]-1,2-benzoxazol-3-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 18667246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).