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

C14H17FN2O2 — CID 60686062

IUPAC2-[ethyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]amino]ethanol
SMILESCCN(CCO)Cc1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C14H17FN2O2/c1-2-17(7-8-18)10-14-16-9-13(19-14)11-3-5-12(15)6-4-11/h3-6,9,18H,2,7-8,10H2,1H3
InChIKeyKNCGPAGOTZCDRL-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.29
Rot. Bonds6

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

2-[ethyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]amino]ethanol (PubChem CID 60686062) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 2-[ethyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[ethyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]amino]ethanol
PubChem CID60686062
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name2-[ethyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]amino]ethanol
SMILESCCN(CCO)Cc1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C14H17FN2O2/c1-2-17(7-8-18)10-14-16-9-13(19-14)11-3-5-12(15)6-4-11/h3-6,9,18H,2,7-8,10H2,1H3
InChIKeyKNCGPAGOTZCDRL-UHFFFAOYSA-N
XLogP2.29
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[ethyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]amino]ethanol with MolForge

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Related Compounds

2-[butyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]amino]ethanol
CID 60689589
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
N-ethyl-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-hydroxyethyl)propanamide
CID 78855488
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-methylamino]-2-methylpropan-1-ol
CID 115637995
3-[2-hydroxyethyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]amino]propan-1-ol
CID 111112523
3-[ethyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]amino]propanoic acid
CID 61010033
N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-ethylethanamine;hydrate;hydrochloride
CID 21152472
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
1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl-ethylamino]-2-methylpropan-2-ol
CID 78963128
2-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl-propylamino]ethanol
CID 111487479

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]amino]ethanol?
The IUPAC name of 2-[ethyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]amino]ethanol (CID 60686062) is 2-[ethyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]amino]ethanol.
What is the SMILES notation for 2-[ethyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]amino]ethanol?
The canonical SMILES for 2-[ethyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]amino]ethanol is CCN(CCO)Cc1ncc(-c2ccc(F)cc2)o1.
What is the InChIKey of 2-[ethyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]amino]ethanol?
The InChIKey is KNCGPAGOTZCDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-2-17(7-8-18)10-14-16-9-13(19-14)11-3-5-12(15)6-4-11/h3-6,9,18H,2,7-8,10H2,1H3.
What are the key properties of 2-[ethyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]amino]ethanol?
2-[ethyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]amino]ethanol has a molecular weight of 264.30 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]amino]ethanol is sourced from PubChem (CID 60686062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).