2-[butyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]amino]ethanol

C16H21FN2O2 — CID 60689589

IUPAC2-[butyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]amino]ethanol
SMILESCCCCN(CCO)Cc1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C16H21FN2O2/c1-2-3-8-19(9-10-20)12-16-18-11-15(21-16)13-4-6-14(17)7-5-13/h4-7,11,20H,2-3,8-10,12H2,1H3
InChIKeyYSMAYOUELHFBSS-UHFFFAOYSA-N
MW292.35 g/mol
LogP3.08
Rot. Bonds8

About 2-[butyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]amino]ethanol

2-[butyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]amino]ethanol (PubChem CID 60689589) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 2-[butyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[butyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]amino]ethanol
PubChem CID60689589
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name2-[butyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]amino]ethanol
SMILESCCCCN(CCO)Cc1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C16H21FN2O2/c1-2-3-8-19(9-10-20)12-16-18-11-15(21-16)13-4-6-14(17)7-5-13/h4-7,11,20H,2-3,8-10,12H2,1H3
InChIKeyYSMAYOUELHFBSS-UHFFFAOYSA-N
XLogP3.08
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]amino]ethanol
CID 60686062
3-[2-hydroxyethyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]amino]propan-1-ol
CID 111112523
2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-ethylamino]ethanol
CID 60686061
3-[ethyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]amino]propanoic acid
CID 61009900
2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl-propylamino]ethanol
CID 60696759
2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl-propylamino]ethanol
CID 111487479
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-2-methylpropan-1-ol
CID 115637995
N-ethyl-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxyethyl)propanamide
CID 78855488
3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 111109909
2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl-(2-hydroxyethyl)amino]ethanol
CID 111487788
methyl 3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]propanoate
CID 62012661
2-[(5-phenyl-1,3-oxazol-2-yl)methyl-prop-2-enylamino]ethanol
CID 115631921

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]amino]ethanol?
The IUPAC name of 2-[butyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]amino]ethanol (CID 60689589) is 2-[butyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]amino]ethanol.
What is the SMILES notation for 2-[butyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]amino]ethanol?
The canonical SMILES for 2-[butyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]amino]ethanol is CCCCN(CCO)Cc1ncc(-c2ccc(F)cc2)o1.
What is the InChIKey of 2-[butyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]amino]ethanol?
The InChIKey is YSMAYOUELHFBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-2-3-8-19(9-10-20)12-16-18-11-15(21-16)13-4-6-14(17)7-5-13/h4-7,11,20H,2-3,8-10,12H2,1H3.
What are the key properties of 2-[butyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]amino]ethanol?
2-[butyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]amino]ethanol has a molecular weight of 292.35 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]amino]ethanol is sourced from PubChem (CID 60689589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).