1-(3-benzhydryl-1,2,4-oxadiazol-5-yl)ethanol

C17H16N2O2 — CID 63346229

IUPAC1-(3-benzhydryl-1,2,4-oxadiazol-5-yl)ethanol
SMILESCC(O)c1nc(C(c2ccccc2)c2ccccc2)no1
InChIInChI=1S/C17H16N2O2/c1-12(20)17-18-16(19-21-17)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,15,20H,1H3
InChIKeyRVCCVEKAZOBAQR-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.30
Rot. Bonds4

About 1-(3-benzhydryl-1,2,4-oxadiazol-5-yl)ethanol

1-(3-benzhydryl-1,2,4-oxadiazol-5-yl)ethanol (PubChem CID 63346229) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-(3-benzhydryl-1,2,4-oxadiazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(3-benzhydryl-1,2,4-oxadiazol-5-yl)ethanol
PubChem CID63346229
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name1-(3-benzhydryl-1,2,4-oxadiazol-5-yl)ethanol
SMILESCC(O)c1nc(C(c2ccccc2)c2ccccc2)no1
InChIInChI=1S/C17H16N2O2/c1-12(20)17-18-16(19-21-17)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,15,20H,1H3
InChIKeyRVCCVEKAZOBAQR-UHFFFAOYSA-N
XLogP3.30
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(3-benzhydryl-1,2,4-oxadiazol-5-yl)ethanamine
CID 103822421
(3-benzhydryl-1,2,4-oxadiazol-5-yl)methanol
CID 63758125
(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanol
CID 66264576
(1S)-1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 79604650
2-phenyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 62884547
1-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 66153347
1-[5-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 62098753
1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63349809
(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethanol
CID 63851603
1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethanol
CID 75481811
1-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 106850000
2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-1-phenylpropan-1-amine
CID 104847428

Frequently Asked Questions

What is the IUPAC name of 1-(3-benzhydryl-1,2,4-oxadiazol-5-yl)ethanol?
The IUPAC name of 1-(3-benzhydryl-1,2,4-oxadiazol-5-yl)ethanol (CID 63346229) is 1-(3-benzhydryl-1,2,4-oxadiazol-5-yl)ethanol.
What is the SMILES notation for 1-(3-benzhydryl-1,2,4-oxadiazol-5-yl)ethanol?
The canonical SMILES for 1-(3-benzhydryl-1,2,4-oxadiazol-5-yl)ethanol is CC(O)c1nc(C(c2ccccc2)c2ccccc2)no1.
What is the InChIKey of 1-(3-benzhydryl-1,2,4-oxadiazol-5-yl)ethanol?
The InChIKey is RVCCVEKAZOBAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12(20)17-18-16(19-21-17)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,15,20H,1H3.
What are the key properties of 1-(3-benzhydryl-1,2,4-oxadiazol-5-yl)ethanol?
1-(3-benzhydryl-1,2,4-oxadiazol-5-yl)ethanol has a molecular weight of 280.33 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzhydryl-1,2,4-oxadiazol-5-yl)ethanol is sourced from PubChem (CID 63346229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).