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

C13H16FN3O2 — CID 133351555

IUPAC1-(2-fluorophenyl)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]ethanol
SMILESCC(C)c1noc(NCC(O)c2ccccc2F)n1
InChIInChI=1S/C13H16FN3O2/c1-8(2)12-16-13(19-17-12)15-7-11(18)9-5-3-4-6-10(9)14/h3-6,8,11,18H,7H2,1-2H3,(H,15,16,17)
InChIKeyWXWOGQPJORMASV-UHFFFAOYSA-N
MW265.29 g/mol
LogP2.48
Rot. Bonds5

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

1-(2-fluorophenyl)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]ethanol (PubChem CID 133351555) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]ethanol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]ethanol
PubChem CID133351555
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name1-(2-fluorophenyl)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]ethanol
SMILESCC(C)c1noc(NCC(O)c2ccccc2F)n1
InChIInChI=1S/C13H16FN3O2/c1-8(2)12-16-13(19-17-12)15-7-11(18)9-5-3-4-6-10(9)14/h3-6,8,11,18H,7H2,1-2H3,(H,15,16,17)
InChIKeyWXWOGQPJORMASV-UHFFFAOYSA-N
XLogP2.48
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 111566233
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 111111566
2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]-1-(2-fluorophenyl)ethanol
CID 133351569
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CID 51086727
2-(4-tert-butylanilino)-1-(2-fluorophenyl)ethanol
CID 60896520
N'-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethane-1,2-diamine
CID 83827200
1-(2-fluorophenyl)-2-(3,4,5-trifluoroanilino)ethanol
CID 62810638
1-(2-fluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol
CID 102905547
N,N-dimethyl-N'-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 133479856
(2R)-2-bromo-N-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]propanamide
CID 97181612
1-(2-fluorophenyl)-2-[[2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-5-methylpyrimidin-4-yl]amino]ethanol
CID 133349123
1-(2-fluorophenyl)-2-[(1-methylpyrazol-4-yl)amino]ethanol
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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]ethanol?
The IUPAC name of 1-(2-fluorophenyl)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]ethanol (CID 133351555) is 1-(2-fluorophenyl)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]ethanol.
What is the SMILES notation for 1-(2-fluorophenyl)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]ethanol?
The canonical SMILES for 1-(2-fluorophenyl)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]ethanol is CC(C)c1noc(NCC(O)c2ccccc2F)n1.
What is the InChIKey of 1-(2-fluorophenyl)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]ethanol?
The InChIKey is WXWOGQPJORMASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c1-8(2)12-16-13(19-17-12)15-7-11(18)9-5-3-4-6-10(9)14/h3-6,8,11,18H,7H2,1-2H3,(H,15,16,17).
What are the key properties of 1-(2-fluorophenyl)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]ethanol?
1-(2-fluorophenyl)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]ethanol has a molecular weight of 265.29 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]ethanol is sourced from PubChem (CID 133351555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).