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

C11H12ClN3O2 — CID 106398798

IUPAC1-(2-chlorophenyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)ethanol
SMILESOC(CNCc1ncon1)c1ccccc1Cl
InChIInChI=1S/C11H12ClN3O2/c12-9-4-2-1-3-8(9)10(16)5-13-6-11-14-7-17-15-11/h1-4,7,10,13,16H,5-6H2
InChIKeyPOEGRCVJRQUEAT-UHFFFAOYSA-N
MW253.69 g/mol
LogP1.55
Rot. Bonds5

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

1-(2-chlorophenyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)ethanol (PubChem CID 106398798) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)ethanol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)ethanol
PubChem CID106398798
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Name1-(2-chlorophenyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)ethanol
SMILESOC(CNCc1ncon1)c1ccccc1Cl
InChIInChI=1S/C11H12ClN3O2/c12-9-4-2-1-3-8(9)10(16)5-13-6-11-14-7-17-15-11/h1-4,7,10,13,16H,5-6H2
InChIKeyPOEGRCVJRQUEAT-UHFFFAOYSA-N
XLogP1.55
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chlorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethanol
CID 106398104
1-(3,4-difluorophenyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)ethanol
CID 114183785
2,2-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
CID 106399000
1-(2-chlorophenyl)-2-(hydroxyamino)ethanol
CID 82111679
1-(2-chlorophenyl)-2-(cyclopropylmethylamino)ethanol
CID 60903428
1-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-2-ol
CID 65106313
1-(2-chlorophenyl)-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol
CID 80682312
1-(2,5-difluorophenyl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]ethanol
CID 106400706
2-[2-hydroxy-3-(1,2,4-oxadiazol-3-ylmethylamino)propoxy]benzonitrile
CID 106399300
2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid
CID 106398580
1-(2-chlorophenyl)-2-(octylamino)ethanol
CID 115567759
1-(2-chlorophenyl)-2-(2-pyridin-4-ylethylamino)ethanol
CID 54937792

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)ethanol?
The IUPAC name of 1-(2-chlorophenyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)ethanol (CID 106398798) is 1-(2-chlorophenyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)ethanol.
What is the SMILES notation for 1-(2-chlorophenyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)ethanol?
The canonical SMILES for 1-(2-chlorophenyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)ethanol is OC(CNCc1ncon1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)ethanol?
The InChIKey is POEGRCVJRQUEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c12-9-4-2-1-3-8(9)10(16)5-13-6-11-14-7-17-15-11/h1-4,7,10,13,16H,5-6H2.
What are the key properties of 1-(2-chlorophenyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)ethanol?
1-(2-chlorophenyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)ethanol has a molecular weight of 253.69 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)ethanol is sourced from PubChem (CID 106398798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).