[4-[5-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]phenyl]methanol

C21H16ClN3O2 — CID 56885878

IUPAC[4-[5-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]phenyl]methanol
SMILESOCc1ccc(-c2ccc(-c3nc(Cc4ccc(Cl)cc4)no3)cn2)cc1
InChIInChI=1S/C21H16ClN3O2/c22-18-8-3-14(4-9-18)11-20-24-21(27-25-20)17-7-10-19(23-12-17)16-5-1-15(13-26)2-6-16/h1-10,12,26H,11,13H2
InChIKeyQBFPMPVAODSMMY-UHFFFAOYSA-N
MW377.83 g/mol
LogP4.54
Rot. Bonds5

About [4-[5-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]phenyl]methanol

[4-[5-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]phenyl]methanol (PubChem CID 56885878) has the molecular formula C21H16ClN3O2 and a molecular weight of 377.83 g/mol. Its IUPAC name is [4-[5-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[5-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]phenyl]methanol
PubChem CID56885878
Molecular FormulaC21H16ClN3O2
Molecular Weight377.83 g/mol
Exact Mass377.09
IUPAC Name[4-[5-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]phenyl]methanol
SMILESOCc1ccc(-c2ccc(-c3nc(Cc4ccc(Cl)cc4)no3)cn2)cc1
InChIInChI=1S/C21H16ClN3O2/c22-18-8-3-14(4-9-18)11-20-24-21(27-25-20)17-7-10-19(23-12-17)16-5-1-15(13-26)2-6-16/h1-10,12,26H,11,13H2
InChIKeyQBFPMPVAODSMMY-UHFFFAOYSA-N
XLogP4.54
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.83
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[5-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]phenyl]methanol with MolForge

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Related Compounds

3-[(4-chlorophenyl)methyl]-5-(4-phenylphenyl)-1,2,4-oxadiazole
CID 2259107
[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methanol
CID 18523550
5-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-[2-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine
CID 28766344
(2S)-2-[[5-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propan-1-ol
CID 51902892
5-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
CID 55115296
[6-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine
CID 81091063
[4-[(4-chlorophenyl)methyl]phenyl]methanol
CID 22408254
[6-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-pyridinyl]methanamine
CID 81090077
[6-(4-bromophenyl)-3-pyridinyl]methanol
CID 24729901
[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methanol
CID 2726656
N-[[4-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]hydroxylamine
CID 10758928
1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
CID 63346783

Frequently Asked Questions

What is the IUPAC name of [4-[5-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]phenyl]methanol?
The IUPAC name of [4-[5-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]phenyl]methanol (CID 56885878) is [4-[5-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]phenyl]methanol.
What is the SMILES notation for [4-[5-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]phenyl]methanol?
The canonical SMILES for [4-[5-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]phenyl]methanol is OCc1ccc(-c2ccc(-c3nc(Cc4ccc(Cl)cc4)no3)cn2)cc1.
What is the InChIKey of [4-[5-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]phenyl]methanol?
The InChIKey is QBFPMPVAODSMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O2/c22-18-8-3-14(4-9-18)11-20-24-21(27-25-20)17-7-10-19(23-12-17)16-5-1-15(13-26)2-6-16/h1-10,12,26H,11,13H2.
What are the key properties of [4-[5-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]phenyl]methanol?
[4-[5-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]phenyl]methanol has a molecular weight of 377.83 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]phenyl]methanol is sourced from PubChem (CID 56885878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).