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

C18H19N3O2 — CID 68649097

IUPAC[5-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methanol
SMILESCC(C)Cc1ccc(-c2nc(-c3ccc(CO)nc3)no2)cc1
InChIInChI=1S/C18H19N3O2/c1-12(2)9-13-3-5-14(6-4-13)18-20-17(21-23-18)15-7-8-16(11-22)19-10-15/h3-8,10,12,22H,9,11H2,1-2H3
InChIKeyFAPQPMWHRFKYIY-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.49
Rot. Bonds5

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

[5-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methanol (PubChem CID 68649097) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is [5-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methanol
PubChem CID68649097
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name[5-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methanol
SMILESCC(C)Cc1ccc(-c2nc(-c3ccc(CO)nc3)no2)cc1
InChIInChI=1S/C18H19N3O2/c1-12(2)9-13-3-5-14(6-4-13)18-20-17(21-23-18)15-7-8-16(11-22)19-10-15/h3-8,10,12,22H,9,11H2,1-2H3
InChIKeyFAPQPMWHRFKYIY-UHFFFAOYSA-N
XLogP3.49
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]methanol
CID 141194690
3-[[5-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methylamino]cyclobutane-1-carboxylic acid
CID 24895474
fluoro-[4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol
CID 141345284
[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
CID 59204295
dioxomanganese;4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]benzaldehyde;[4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methanol;oxolane
CID 157117394
2-[[4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2H-azete-1-carboxylic acid
CID 141345288
3-[4-(2H-azet-1-ylmethyl)-3-bromophenyl]-5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazole
CID 141345286
1-[1-[4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]ethyl]azetidine-3-carboxylic acid
CID 10363916
N-(1,3-dihydroxypropan-2-yl)-2-[4-[5-[5-methyl-6-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 59392516
4-methoxycarbonyl-1-[[4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperidine-4-carboxylic acid
CID 25127693
2-methyl-3-[2-[4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]ethylamino]cyclobutane-1,1-dicarboxylic acid
CID 90450278
1-[[5-[5-[3-chloro-4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]azetidine-3-carboxylic acid
CID 11978281

Frequently Asked Questions

What is the IUPAC name of [5-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methanol?
The IUPAC name of [5-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methanol (CID 68649097) is [5-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methanol.
What is the SMILES notation for [5-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methanol?
The canonical SMILES for [5-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methanol is CC(C)Cc1ccc(-c2nc(-c3ccc(CO)nc3)no2)cc1.
What is the InChIKey of [5-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methanol?
The InChIKey is FAPQPMWHRFKYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-12(2)9-13-3-5-14(6-4-13)18-20-17(21-23-18)15-7-8-16(11-22)19-10-15/h3-8,10,12,22H,9,11H2,1-2H3.
What are the key properties of [5-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methanol?
[5-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methanol has a molecular weight of 309.37 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 68649097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).