2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]-1-(2-fluorophenyl)ethanol

C16H13ClFN3O2 — CID 133351569

IUPAC2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]-1-(2-fluorophenyl)ethanol
SMILESOC(CNc1nc(-c2cccc(Cl)c2)no1)c1ccccc1F
InChIInChI=1S/C16H13ClFN3O2/c17-11-5-3-4-10(8-11)15-20-16(23-21-15)19-9-14(22)12-6-1-2-7-13(12)18/h1-8,14,22H,9H2,(H,19,20,21)
InChIKeyWLCCNDJZTROLHS-UHFFFAOYSA-N
MW333.75 g/mol
LogP3.67
Rot. Bonds5

About 2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]-1-(2-fluorophenyl)ethanol

2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]-1-(2-fluorophenyl)ethanol (PubChem CID 133351569) has the molecular formula C16H13ClFN3O2 and a molecular weight of 333.75 g/mol. Its IUPAC name is 2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]-1-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]-1-(2-fluorophenyl)ethanol
PubChem CID133351569
Molecular FormulaC16H13ClFN3O2
Molecular Weight333.75 g/mol
Exact Mass333.07
IUPAC Name2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]-1-(2-fluorophenyl)ethanol
SMILESOC(CNc1nc(-c2cccc(Cl)c2)no1)c1ccccc1F
InChIInChI=1S/C16H13ClFN3O2/c17-11-5-3-4-10(8-11)15-20-16(23-21-15)19-9-14(22)12-6-1-2-7-13(12)18/h1-8,14,22H,9H2,(H,19,20,21)
InChIKeyWLCCNDJZTROLHS-UHFFFAOYSA-N
XLogP3.67
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.75
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 133351341
(1R)-1-(4-fluorophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]ethanol
CID 52531104
1-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]propan-2-ol
CID 121222906
3-(3-chlorophenyl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine
CID 133380047
3-chloro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111566265
2-[(5-chloro-2-pyridinyl)amino]-1-(2-fluorophenyl)ethanol
CID 133351470
3-(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-amine
CID 165350684
2-(1,3-benzoxazol-2-ylamino)-1-(2-fluorophenyl)ethanol
CID 51086727
2-[(7-chloroquinolin-4-yl)amino]-1-(2-fluorophenyl)ethanol
CID 133351580
(2S)-2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]-3-methylbutanoic acid
CID 122049627
6-[1-hydroxy-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)amino]ethyl]-1H-pyridin-2-one
CID 165424799
3-(3-chlorophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-oxadiazol-5-amine
CID 133282298

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]-1-(2-fluorophenyl)ethanol?
The IUPAC name of 2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]-1-(2-fluorophenyl)ethanol (CID 133351569) is 2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]-1-(2-fluorophenyl)ethanol.
What is the SMILES notation for 2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]-1-(2-fluorophenyl)ethanol?
The canonical SMILES for 2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]-1-(2-fluorophenyl)ethanol is OC(CNc1nc(-c2cccc(Cl)c2)no1)c1ccccc1F.
What is the InChIKey of 2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]-1-(2-fluorophenyl)ethanol?
The InChIKey is WLCCNDJZTROLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O2/c17-11-5-3-4-10(8-11)15-20-16(23-21-15)19-9-14(22)12-6-1-2-7-13(12)18/h1-8,14,22H,9H2,(H,19,20,21).
What are the key properties of 2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]-1-(2-fluorophenyl)ethanol?
2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]-1-(2-fluorophenyl)ethanol has a molecular weight of 333.75 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]-1-(2-fluorophenyl)ethanol is sourced from PubChem (CID 133351569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).