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

C14H17FN2O3 — CID 62021325

IUPAC2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)Cc1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H17FN2O3/c15-12-3-1-11(2-4-12)14-16-13(10-20-14)9-17(5-7-18)6-8-19/h1-4,10,18-19H,5-9H2
InChIKeyZXIKPZRTFAIPPE-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.27
Rot. Bonds7

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

2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-(2-hydroxyethyl)amino]ethanol (PubChem CID 62021325) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-(2-hydroxyethyl)amino]ethanol
PubChem CID62021325
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)Cc1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H17FN2O3/c15-12-3-1-11(2-4-12)14-16-13(10-20-14)9-17(5-7-18)6-8-19/h1-4,10,18-19H,5-9H2
InChIKeyZXIKPZRTFAIPPE-UHFFFAOYSA-N
XLogP1.27
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-(2-methoxyethyl)amino]ethanol
CID 111103117
2-[2,2-difluoroethyl-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]ethanol
CID 107485496
2-[[2-(4-bromophenyl)-1,3-oxazol-4-yl]methyl-ethylamino]ethanol
CID 110932920
2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-propylamino]-N-propylacetamide
CID 87015036
3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]propan-1-ol
CID 66114740
N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylazetidin-3-amine
CID 66188313
N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-methoxy-N-methylaniline
CID 56662391
1-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine
CID 60726482
2-[cyclopropyl-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]amino]acetic acid
CID 60835152
4-(azidomethyl)-2-(4-fluorophenyl)-1,3-oxazole
CID 61373650
N-(1,3-benzodioxol-5-ylmethyl)-N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 55542053
2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 55544759

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-(2-hydroxyethyl)amino]ethanol (CID 62021325) is 2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-(2-hydroxyethyl)amino]ethanol is OCCN(CCO)Cc1coc(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-(2-hydroxyethyl)amino]ethanol?
The InChIKey is ZXIKPZRTFAIPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c15-12-3-1-11(2-4-12)14-16-13(10-20-14)9-17(5-7-18)6-8-19/h1-4,10,18-19H,5-9H2.
What are the key properties of 2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-(2-hydroxyethyl)amino]ethanol?
2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-(2-hydroxyethyl)amino]ethanol has a molecular weight of 280.30 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 62021325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).