[3-[3-fluoro-4-[2-fluoro-4-[5-(hydroxymethyl)-2,5-dihydro-1,2-oxazol-3-yl]phenyl]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methanol

C20H18F2N2O4 — CID 91476454

IUPAC[3-[3-fluoro-4-[2-fluoro-4-[5-(hydroxymethyl)-2,5-dihydro-1,2-oxazol-3-yl]phenyl]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methanol
SMILESOCC1C=C(c2ccc(-c3ccc(C4=CC(CO)ON4)cc3F)c(F)c2)NO1
InChIInChI=1S/C20H18F2N2O4/c21-17-5-11(19-7-13(9-25)27-23-19)1-3-15(17)16-4-2-12(6-18(16)22)20-8-14(10-26)28-24-20/h1-8,13-14,23-26H,9-10H2
InChIKeyNQNZPYDEFAVWFA-UHFFFAOYSA-N
MW388.37 g/mol
LogP2.11
Rot. Bonds5

About [3-[3-fluoro-4-[2-fluoro-4-[5-(hydroxymethyl)-2,5-dihydro-1,2-oxazol-3-yl]phenyl]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methanol

[3-[3-fluoro-4-[2-fluoro-4-[5-(hydroxymethyl)-2,5-dihydro-1,2-oxazol-3-yl]phenyl]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methanol (PubChem CID 91476454) has the molecular formula C20H18F2N2O4 and a molecular weight of 388.37 g/mol. Its IUPAC name is [3-[3-fluoro-4-[2-fluoro-4-[5-(hydroxymethyl)-2,5-dihydro-1,2-oxazol-3-yl]phenyl]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[3-[3-fluoro-4-[2-fluoro-4-[5-(hydroxymethyl)-2,5-dihydro-1,2-oxazol-3-yl]phenyl]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methanol
PubChem CID91476454
Molecular FormulaC20H18F2N2O4
Molecular Weight388.37 g/mol
Exact Mass388.12
IUPAC Name[3-[3-fluoro-4-[2-fluoro-4-[5-(hydroxymethyl)-2,5-dihydro-1,2-oxazol-3-yl]phenyl]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methanol
SMILESOCC1C=C(c2ccc(-c3ccc(C4=CC(CO)ON4)cc3F)c(F)c2)NO1
InChIInChI=1S/C20H18F2N2O4/c21-17-5-11(19-7-13(9-25)27-23-19)1-3-15(17)16-4-2-12(6-18(16)22)20-8-14(10-26)28-24-20/h1-8,13-14,23-26H,9-10H2
InChIKeyNQNZPYDEFAVWFA-UHFFFAOYSA-N
XLogP2.11
TPSA82.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 52.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze [3-[3-fluoro-4-[2-fluoro-4-[5-(hydroxymethyl)-2,5-dihydro-1,2-oxazol-3-yl]phenyl]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methanol with MolForge

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Related Compounds

2-[1-[4-[4-(Trifluoromethyl)phenyl]phenyl]ethenylamino]oxyethanol
CID 57068225
2-[1-[4-(4-Fluorophenyl)phenyl]ethenylamino]oxyethanol
CID 57122048
[3-(3,4-Difluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 91204558
Tert-butyl-[[3-[4-[4-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydro-1,2-oxazol-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2,5-dihydro-1,2-oxazol-5-yl]methoxy]-dimethylsilane
CID 91368769
[3-(4-Fluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 91595047
2-[1-(4-Phenylphenyl)ethenylamino]oxyethanol
CID 57184064
2-[1-[4-(4-Methylphenyl)phenyl]ethenylamino]oxyethanol
CID 57280057
2-[1-(4-Phenylphenyl)prop-1-enylamino]oxyethanol
CID 57315445

Frequently Asked Questions

What is the IUPAC name of [3-[3-fluoro-4-[2-fluoro-4-[5-(hydroxymethyl)-2,5-dihydro-1,2-oxazol-3-yl]phenyl]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methanol?
The IUPAC name of [3-[3-fluoro-4-[2-fluoro-4-[5-(hydroxymethyl)-2,5-dihydro-1,2-oxazol-3-yl]phenyl]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methanol (CID 91476454) is [3-[3-fluoro-4-[2-fluoro-4-[5-(hydroxymethyl)-2,5-dihydro-1,2-oxazol-3-yl]phenyl]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methanol.
What is the SMILES notation for [3-[3-fluoro-4-[2-fluoro-4-[5-(hydroxymethyl)-2,5-dihydro-1,2-oxazol-3-yl]phenyl]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methanol?
The canonical SMILES for [3-[3-fluoro-4-[2-fluoro-4-[5-(hydroxymethyl)-2,5-dihydro-1,2-oxazol-3-yl]phenyl]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methanol is OCC1C=C(c2ccc(-c3ccc(C4=CC(CO)ON4)cc3F)c(F)c2)NO1.
What is the InChIKey of [3-[3-fluoro-4-[2-fluoro-4-[5-(hydroxymethyl)-2,5-dihydro-1,2-oxazol-3-yl]phenyl]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methanol?
The InChIKey is NQNZPYDEFAVWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O4/c21-17-5-11(19-7-13(9-25)27-23-19)1-3-15(17)16-4-2-12(6-18(16)22)20-8-14(10-26)28-24-20/h1-8,13-14,23-26H,9-10H2.
What are the key properties of [3-[3-fluoro-4-[2-fluoro-4-[5-(hydroxymethyl)-2,5-dihydro-1,2-oxazol-3-yl]phenyl]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methanol?
[3-[3-fluoro-4-[2-fluoro-4-[5-(hydroxymethyl)-2,5-dihydro-1,2-oxazol-3-yl]phenyl]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methanol has a molecular weight of 388.37 g/mol, XLogP of 2.11, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-fluoro-4-[2-fluoro-4-[5-(hydroxymethyl)-2,5-dihydro-1,2-oxazol-3-yl]phenyl]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methanol is sourced from PubChem (CID 91476454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).