2-[2-fluoro-3-[(5R)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy]ethanol

C17H16FNO3 — CID 18665549

IUPAC2-[2-fluoro-3-[(5R)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy]ethanol
SMILESOCCOc1cccc(C2=NC[C@@H](c3ccccc3)O2)c1F
InChIInChI=1S/C17H16FNO3/c18-16-13(7-4-8-14(16)21-10-9-20)17-19-11-15(22-17)12-5-2-1-3-6-12/h1-8,15,20H,9-11H2/t15-/m0/s1
InChIKeyDTMWRDOCPIVPCL-HNNXBMFYSA-N
MW301.32 g/mol
LogP2.71
Rot. Bonds5

About 2-[2-fluoro-3-[(5R)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy]ethanol

2-[2-fluoro-3-[(5R)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy]ethanol (PubChem CID 18665549) has the molecular formula C17H16FNO3 and a molecular weight of 301.32 g/mol. Its IUPAC name is 2-[2-fluoro-3-[(5R)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-fluoro-3-[(5R)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy]ethanol
PubChem CID18665549
Molecular FormulaC17H16FNO3
Molecular Weight301.32 g/mol
Exact Mass301.11
IUPAC Name2-[2-fluoro-3-[(5R)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy]ethanol
SMILESOCCOc1cccc(C2=NC[C@@H](c3ccccc3)O2)c1F
InChIInChI=1S/C17H16FNO3/c18-16-13(7-4-8-14(16)21-10-9-20)17-19-11-15(22-17)12-5-2-1-3-6-12/h1-8,15,20H,9-11H2/t15-/m0/s1
InChIKeyDTMWRDOCPIVPCL-HNNXBMFYSA-N
XLogP2.71
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-3-[(5R)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy]ethanol?
The IUPAC name of 2-[2-fluoro-3-[(5R)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy]ethanol (CID 18665549) is 2-[2-fluoro-3-[(5R)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy]ethanol.
What is the SMILES notation for 2-[2-fluoro-3-[(5R)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy]ethanol?
The canonical SMILES for 2-[2-fluoro-3-[(5R)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy]ethanol is OCCOc1cccc(C2=NC[C@@H](c3ccccc3)O2)c1F.
What is the InChIKey of 2-[2-fluoro-3-[(5R)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy]ethanol?
The InChIKey is DTMWRDOCPIVPCL-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H16FNO3/c18-16-13(7-4-8-14(16)21-10-9-20)17-19-11-15(22-17)12-5-2-1-3-6-12/h1-8,15,20H,9-11H2/t15-/m0/s1.
What are the key properties of 2-[2-fluoro-3-[(5R)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy]ethanol?
2-[2-fluoro-3-[(5R)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy]ethanol has a molecular weight of 301.32 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-3-[(5R)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy]ethanol is sourced from PubChem (CID 18665549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).