1-(3,4-difluorophenyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)ethanol

C11H11F2N3O2 — CID 114183785

IUPAC1-(3,4-difluorophenyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)ethanol
SMILESOC(CNCc1ncon1)c1ccc(F)c(F)c1
InChIInChI=1S/C11H11F2N3O2/c12-8-2-1-7(3-9(8)13)10(17)4-14-5-11-15-6-18-16-11/h1-3,6,10,14,17H,4-5H2
InChIKeyWCSJCAKIHNZVIC-UHFFFAOYSA-N
MW255.22 g/mol
LogP1.17
Rot. Bonds5

About 1-(3,4-difluorophenyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)ethanol

1-(3,4-difluorophenyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)ethanol (PubChem CID 114183785) has the molecular formula C11H11F2N3O2 and a molecular weight of 255.22 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)ethanol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)ethanol
PubChem CID114183785
Molecular FormulaC11H11F2N3O2
Molecular Weight255.22 g/mol
Exact Mass255.08
IUPAC Name1-(3,4-difluorophenyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)ethanol
SMILESOC(CNCc1ncon1)c1ccc(F)c(F)c1
InChIInChI=1S/C11H11F2N3O2/c12-8-2-1-7(3-9(8)13)10(17)4-14-5-11-15-6-18-16-11/h1-3,6,10,14,17H,4-5H2
InChIKeyWCSJCAKIHNZVIC-UHFFFAOYSA-N
XLogP1.17
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-difluorophenyl)-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethanol
CID 106371980
1-(2,5-difluorophenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethanol
CID 106400706
1-(2,5-difluorophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106393758
1-(2-chlorophenyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)ethanol
CID 106398798
2,2-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
CID 106399000
1-(3,4-difluorophenyl)-2-[(3-methyl-2-pyridinyl)methylamino]ethanol
CID 63306680
2-[(3-chloro-4-fluorophenyl)methylamino]-1-(3,4-difluorophenyl)ethanol
CID 62538794
1-(3,4-difluorophenyl)-2-[(3-ethyl-2-pyridinyl)methylamino]ethanol
CID 82736077
1-(3,4-difluorophenyl)-2-(prop-2-ynylamino)ethanol
CID 60903531
1-(3,4-difluorophenyl)-2-[(2-methoxy-3-pyridinyl)methylamino]ethanol
CID 60908484
1-(3,4-difluorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol
CID 62119737
1-[4-(difluoromethyl)phenyl]-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 114182980

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)ethanol?
The IUPAC name of 1-(3,4-difluorophenyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)ethanol (CID 114183785) is 1-(3,4-difluorophenyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)ethanol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)ethanol?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)ethanol is OC(CNCc1ncon1)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)ethanol?
The InChIKey is WCSJCAKIHNZVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O2/c12-8-2-1-7(3-9(8)13)10(17)4-14-5-11-15-6-18-16-11/h1-3,6,10,14,17H,4-5H2.
What are the key properties of 1-(3,4-difluorophenyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)ethanol?
1-(3,4-difluorophenyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)ethanol has a molecular weight of 255.22 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)ethanol is sourced from PubChem (CID 114183785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).