1-(4-fluorophenyl)-2-(1,2-oxazol-5-ylmethylamino)ethanol

C12H13FN2O2 — CID 113223093

IUPAC1-(4-fluorophenyl)-2-(1,2-oxazol-5-ylmethylamino)ethanol
SMILESOC(CNCc1ccno1)c1ccc(F)cc1
InChIInChI=1S/C12H13FN2O2/c13-10-3-1-9(2-4-10)12(16)8-14-7-11-5-6-15-17-11/h1-6,12,14,16H,7-8H2
InChIKeyCVINICSNNAQSCR-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.64
Rot. Bonds5

About 1-(4-fluorophenyl)-2-(1,2-oxazol-5-ylmethylamino)ethanol

1-(4-fluorophenyl)-2-(1,2-oxazol-5-ylmethylamino)ethanol (PubChem CID 113223093) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(1,2-oxazol-5-ylmethylamino)ethanol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(1,2-oxazol-5-ylmethylamino)ethanol
PubChem CID113223093
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Name1-(4-fluorophenyl)-2-(1,2-oxazol-5-ylmethylamino)ethanol
SMILESOC(CNCc1ccno1)c1ccc(F)cc1
InChIInChI=1S/C12H13FN2O2/c13-10-3-1-9(2-4-10)12(16)8-14-7-11-5-6-15-17-11/h1-6,12,14,16H,7-8H2
InChIKeyCVINICSNNAQSCR-UHFFFAOYSA-N
XLogP1.64
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2-oxazol-5-ylmethylamino)-1-phenylethanol
CID 103605063
1-[4-(2-methylpropyl)phenyl]-2-(1,2-oxazol-5-ylmethylamino)ethanol
CID 106417399
1-(4-fluorophenyl)-2-[(5-methylfuran-2-yl)methylamino]ethanol
CID 60761067
1-(4-fluorophenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 103605027
1-(1,2-oxazol-5-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 165349203
1-(4-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 54594094
(1R)-2-[(4-fluorophenyl)methylamino]-1-phenylethanol
CID 6926807
1-(4-fluorophenyl)-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]ethanol
CID 110889849
1-(diethylamino)-3-(1,2-oxazol-5-ylmethylamino)propan-2-ol
CID 106417397
2-(1,2-oxazol-5-ylmethylamino)acetic acid
CID 43466227
1-(4-fluorophenyl)-2-[(5-methylpyrazin-2-yl)methylamino]ethanol
CID 62848099
1-(2-chloro-4-fluorophenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 106415684

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(1,2-oxazol-5-ylmethylamino)ethanol?
The IUPAC name of 1-(4-fluorophenyl)-2-(1,2-oxazol-5-ylmethylamino)ethanol (CID 113223093) is 1-(4-fluorophenyl)-2-(1,2-oxazol-5-ylmethylamino)ethanol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(1,2-oxazol-5-ylmethylamino)ethanol?
The canonical SMILES for 1-(4-fluorophenyl)-2-(1,2-oxazol-5-ylmethylamino)ethanol is OC(CNCc1ccno1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(1,2-oxazol-5-ylmethylamino)ethanol?
The InChIKey is CVINICSNNAQSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c13-10-3-1-9(2-4-10)12(16)8-14-7-11-5-6-15-17-11/h1-6,12,14,16H,7-8H2.
What are the key properties of 1-(4-fluorophenyl)-2-(1,2-oxazol-5-ylmethylamino)ethanol?
1-(4-fluorophenyl)-2-(1,2-oxazol-5-ylmethylamino)ethanol has a molecular weight of 236.25 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(1,2-oxazol-5-ylmethylamino)ethanol is sourced from PubChem (CID 113223093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).