[4-[2-[4-(6-fluorohexoxy)phenyl]ethyl]-2-methyl-5H-1,3-oxazol-4-yl]methanol;[(4R)-4-[2-[4-(6-fluorohexoxy)phenyl]ethyl]-2-methyl-5H-1,3-oxazol-4-yl]methanol;[(4S)-4-[2-[4-(6-fluorohexoxy)phenyl]ethyl]-2-methyl-5H-1,3-oxazol-4-yl]methanol

C57H84F3N3O9 — CID 158927783

IUPAC[4-[2-[4-(6-fluorohexoxy)phenyl]ethyl]-2-methyl-5H-1,3-oxazol-4-yl]methanol;[(4R)-4-[2-[4-(6-fluorohexoxy)phenyl]ethyl]-2-methyl-5H-1,3-oxazol-4-yl]methanol;[(4S)-4-[2-[4-(6-fluorohexoxy)phenyl]ethyl]-2-methyl-5H-1,3-oxazol-4-yl]methanol
SMILESCC1=NC(CO)(CCc2ccc(OCCCCCCF)cc2)CO1.CC1=N[C@@](CO)(CCc2ccc(OCCCCCCF)cc2)CO1.CC1=N[C@](CO)(CCc2ccc(OCCCCCCF)cc2)CO1
InChIInChI=1S/3C19H28FNO3/c3*1-16-21-19(14-22,15-24-16)11-10-17-6-8-18(9-7-17)23-13-5-3-2-4-12-20/h3*6-9,22H,2-5,10-15H2,1H3/t2*19-;/m10./s1
InChIKeyJIQUQPWXNMFPPX-CSBSUJFHSA-N
MW1012.30 g/mol
LogP11.12
Rot. Bonds33

About [4-[2-[4-(6-fluorohexoxy)phenyl]ethyl]-2-methyl-5H-1,3-oxazol-4-yl]methanol;[(4R)-4-[2-[4-(6-fluorohexoxy)phenyl]ethyl]-2-methyl-5H-1,3-oxazol-4-yl]methanol;[(4S)-4-[2-[4-(6-fluorohexoxy)phenyl]ethyl]-2-methyl-5H-1,3-oxazol-4-yl]methanol

[4-[2-[4-(6-fluorohexoxy)phenyl]ethyl]-2-methyl-5H-1,3-oxazol-4-yl]methanol;[(4R)-4-[2-[4-(6-fluorohexoxy)phenyl]ethyl]-2-methyl-5H-1,3-oxazol-4-yl]methanol;[(4S)-4-[2-[4-(6-fluorohexoxy)phenyl]ethyl]-2-methyl-5H-1,3-oxazol-4-yl]methanol (PubChem CID 158927783) has the molecular formula C57H84F3N3O9 and a molecular weight of 1012.30 g/mol. Its IUPAC name is [4-[2-[4-(6-fluorohexoxy)phenyl]ethyl]-2-methyl-5H-1,3-oxazol-4-yl]methanol;[(4R)-4-[2-[4-(6-fluorohexoxy)phenyl]ethyl]-2-methyl-5H-1,3-oxazol-4-yl]methanol;[(4S)-4-[2-[4-(6-fluorohexoxy)phenyl]ethyl]-2-methyl-5H-1,3-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[4-[2-[4-(6-fluorohexoxy)phenyl]ethyl]-2-methyl-5H-1,3-oxazol-4-yl]methanol;[(4R)-4-[2-[4-(6-fluorohexoxy)phenyl]ethyl]-2-methyl-5H-1,3-oxazol-4-yl]methanol;[(4S)-4-[2-[4-(6-fluorohexoxy)phenyl]ethyl]-2-methyl-5H-1,3-oxazol-4-yl]methanol
PubChem CID158927783
Molecular FormulaC57H84F3N3O9
Molecular Weight1012.30 g/mol
Exact Mass1011.62
IUPAC Name[4-[2-[4-(6-fluorohexoxy)phenyl]ethyl]-2-methyl-5H-1,3-oxazol-4-yl]methanol;[(4R)-4-[2-[4-(6-fluorohexoxy)phenyl]ethyl]-2-methyl-5H-1,3-oxazol-4-yl]methanol;[(4S)-4-[2-[4-(6-fluorohexoxy)phenyl]ethyl]-2-methyl-5H-1,3-oxazol-4-yl]methanol
SMILESCC1=NC(CO)(CCc2ccc(OCCCCCCF)cc2)CO1.CC1=N[C@@](CO)(CCc2ccc(OCCCCCCF)cc2)CO1.CC1=N[C@](CO)(CCc2ccc(OCCCCCCF)cc2)CO1
InChIInChI=1S/3C19H28FNO3/c3*1-16-21-19(14-22,15-24-16)11-10-17-6-8-18(9-7-17)23-13-5-3-2-4-12-20/h3*6-9,22H,2-5,10-15H2,1H3/t2*19-;/m10./s1
InChIKeyJIQUQPWXNMFPPX-CSBSUJFHSA-N
XLogP11.12
TPSA153.15 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds33
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001012.30
LogP ≤ 511.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [4-[2-[4-(6-fluorohexoxy)phenyl]ethyl]-2-methyl-5H-1,3-oxazol-4-yl]methanol;[(4R)-4-[2-[4-(6-fluorohexoxy)phenyl]ethyl]-2-methyl-5H-1,3-oxazol-4-yl]methanol;[(4S)-4-[2-[4-(6-fluorohexoxy)phenyl]ethyl]-2-methyl-5H-1,3-oxazol-4-yl]methanol with MolForge

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Related Compounds

1-[4-[2-[4-(hydroxymethyl)-2-methyl-5H-1,3-oxazol-4-yl]ethyl]phenyl]ethanone
CID 69288061
[2-methyl-4-[2-[4-octoxy-3-(trifluoromethyl)phenyl]ethyl]-5H-1,3-oxazol-4-yl]methanolate
CID 143486199
4-methyl-4-[2-(4-nonoxyphenyl)ethyl]-1,3-oxazolidin-2-one
CID 22618854
[4-[[4-[3,5-bis(2-dimethoxyphosphorylethyl)phenyl]phenoxy]methyl]-2-methyl-5H-1,3-oxazol-4-yl]methanol
CID 139552248
1-butoxy-4-[4-(4-fluorobutyl)phenyl]benzene
CID 19789101
[3-[2-(4-heptoxyphenyl)ethyl]-2-oxooxolan-3-yl]carbamic acid
CID 10690086
2-[4-[7-[4-(2-aminoethyl)phenoxy]heptoxy]phenyl]ethanamine
CID 138454042
[4-[13-[4-(hydroxymethyl)phenoxy]tridecoxy]phenyl]methanol
CID 118229822
[4-[9-[4-(hydroxymethyl)phenoxy]nonoxy]phenyl]methanol
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3-[4-(3-fluoropropoxy)phenyl]propan-1-amine
CID 53434413
5-(4-butylphenoxy)pentan-1-ol
CID 113322723
16-[4-(2-(18F)fluoroethoxy)phenyl]hexadecan-2-one
CID 87414721

Frequently Asked Questions

What is the IUPAC name of [4-[2-[4-(6-fluorohexoxy)phenyl]ethyl]-2-methyl-5H-1,3-oxazol-4-yl]methanol;[(4R)-4-[2-[4-(6-fluorohexoxy)phenyl]ethyl]-2-methyl-5H-1,3-oxazol-4-yl]methanol;[(4S)-4-[2-[4-(6-fluorohexoxy)phenyl]ethyl]-2-methyl-5H-1,3-oxazol-4-yl]methanol?
The IUPAC name of [4-[2-[4-(6-fluorohexoxy)phenyl]ethyl]-2-methyl-5H-1,3-oxazol-4-yl]methanol;[(4R)-4-[2-[4-(6-fluorohexoxy)phenyl]ethyl]-2-methyl-5H-1,3-oxazol-4-yl]methanol;[(4S)-4-[2-[4-(6-fluorohexoxy)phenyl]ethyl]-2-methyl-5H-1,3-oxazol-4-yl]methanol (CID 158927783) is [4-[2-[4-(6-fluorohexoxy)phenyl]ethyl]-2-methyl-5H-1,3-oxazol-4-yl]methanol;[(4R)-4-[2-[4-(6-fluorohexoxy)phenyl]ethyl]-2-methyl-5H-1,3-oxazol-4-yl]methanol;[(4S)-4-[2-[4-(6-fluorohexoxy)phenyl]ethyl]-2-methyl-5H-1,3-oxazol-4-yl]methanol.
What is the SMILES notation for [4-[2-[4-(6-fluorohexoxy)phenyl]ethyl]-2-methyl-5H-1,3-oxazol-4-yl]methanol;[(4R)-4-[2-[4-(6-fluorohexoxy)phenyl]ethyl]-2-methyl-5H-1,3-oxazol-4-yl]methanol;[(4S)-4-[2-[4-(6-fluorohexoxy)phenyl]ethyl]-2-methyl-5H-1,3-oxazol-4-yl]methanol?
The canonical SMILES for [4-[2-[4-(6-fluorohexoxy)phenyl]ethyl]-2-methyl-5H-1,3-oxazol-4-yl]methanol;[(4R)-4-[2-[4-(6-fluorohexoxy)phenyl]ethyl]-2-methyl-5H-1,3-oxazol-4-yl]methanol;[(4S)-4-[2-[4-(6-fluorohexoxy)phenyl]ethyl]-2-methyl-5H-1,3-oxazol-4-yl]methanol is CC1=NC(CO)(CCc2ccc(OCCCCCCF)cc2)CO1.CC1=N[C@@](CO)(CCc2ccc(OCCCCCCF)cc2)CO1.CC1=N[C@](CO)(CCc2ccc(OCCCCCCF)cc2)CO1.
What is the InChIKey of [4-[2-[4-(6-fluorohexoxy)phenyl]ethyl]-2-methyl-5H-1,3-oxazol-4-yl]methanol;[(4R)-4-[2-[4-(6-fluorohexoxy)phenyl]ethyl]-2-methyl-5H-1,3-oxazol-4-yl]methanol;[(4S)-4-[2-[4-(6-fluorohexoxy)phenyl]ethyl]-2-methyl-5H-1,3-oxazol-4-yl]methanol?
The InChIKey is JIQUQPWXNMFPPX-CSBSUJFHSA-N. The full InChI is InChI=1S/3C19H28FNO3/c3*1-16-21-19(14-22,15-24-16)11-10-17-6-8-18(9-7-17)23-13-5-3-2-4-12-20/h3*6-9,22H,2-5,10-15H2,1H3/t2*19-;/m10./s1.
What are the key properties of [4-[2-[4-(6-fluorohexoxy)phenyl]ethyl]-2-methyl-5H-1,3-oxazol-4-yl]methanol;[(4R)-4-[2-[4-(6-fluorohexoxy)phenyl]ethyl]-2-methyl-5H-1,3-oxazol-4-yl]methanol;[(4S)-4-[2-[4-(6-fluorohexoxy)phenyl]ethyl]-2-methyl-5H-1,3-oxazol-4-yl]methanol?
[4-[2-[4-(6-fluorohexoxy)phenyl]ethyl]-2-methyl-5H-1,3-oxazol-4-yl]methanol;[(4R)-4-[2-[4-(6-fluorohexoxy)phenyl]ethyl]-2-methyl-5H-1,3-oxazol-4-yl]methanol;[(4S)-4-[2-[4-(6-fluorohexoxy)phenyl]ethyl]-2-methyl-5H-1,3-oxazol-4-yl]methanol has a molecular weight of 1012.30 g/mol, XLogP of 11.12, 33 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[4-(6-fluorohexoxy)phenyl]ethyl]-2-methyl-5H-1,3-oxazol-4-yl]methanol;[(4R)-4-[2-[4-(6-fluorohexoxy)phenyl]ethyl]-2-methyl-5H-1,3-oxazol-4-yl]methanol;[(4S)-4-[2-[4-(6-fluorohexoxy)phenyl]ethyl]-2-methyl-5H-1,3-oxazol-4-yl]methanol is sourced from PubChem (CID 158927783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).