[3-[5-[1-cyclohexyl-5-(methoxymethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanol

C20H24N4O3 — CID 66803660

IUPAC[3-[5-[1-cyclohexyl-5-(methoxymethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanol
SMILESCOCc1c(-c2nc(-c3cccc(CO)c3)no2)cnn1C1CCCCC1
InChIInChI=1S/C20H24N4O3/c1-26-13-18-17(11-21-24(18)16-8-3-2-4-9-16)20-22-19(23-27-20)15-7-5-6-14(10-15)12-25/h5-7,10-11,16,25H,2-4,8-9,12-13H2,1H3
InChIKeyFTCUTSOFZVRXPG-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.74
Rot. Bonds6

About [3-[5-[1-cyclohexyl-5-(methoxymethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanol

[3-[5-[1-cyclohexyl-5-(methoxymethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanol (PubChem CID 66803660) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is [3-[5-[1-cyclohexyl-5-(methoxymethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[5-[1-cyclohexyl-5-(methoxymethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanol
PubChem CID66803660
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name[3-[5-[1-cyclohexyl-5-(methoxymethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanol
SMILESCOCc1c(-c2nc(-c3cccc(CO)c3)no2)cnn1C1CCCCC1
InChIInChI=1S/C20H24N4O3/c1-26-13-18-17(11-21-24(18)16-8-3-2-4-9-16)20-22-19(23-27-20)15-7-5-6-14(10-15)12-25/h5-7,10-11,16,25H,2-4,8-9,12-13H2,1H3
InChIKeyFTCUTSOFZVRXPG-UHFFFAOYSA-N
XLogP3.74
TPSA86.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-[5-[1-cyclohexyl-5-(methoxymethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanol?
The IUPAC name of [3-[5-[1-cyclohexyl-5-(methoxymethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanol (CID 66803660) is [3-[5-[1-cyclohexyl-5-(methoxymethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanol.
What is the SMILES notation for [3-[5-[1-cyclohexyl-5-(methoxymethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanol?
The canonical SMILES for [3-[5-[1-cyclohexyl-5-(methoxymethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanol is COCc1c(-c2nc(-c3cccc(CO)c3)no2)cnn1C1CCCCC1.
What is the InChIKey of [3-[5-[1-cyclohexyl-5-(methoxymethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanol?
The InChIKey is FTCUTSOFZVRXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-26-13-18-17(11-21-24(18)16-8-3-2-4-9-16)20-22-19(23-27-20)15-7-5-6-14(10-15)12-25/h5-7,10-11,16,25H,2-4,8-9,12-13H2,1H3.
What are the key properties of [3-[5-[1-cyclohexyl-5-(methoxymethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanol?
[3-[5-[1-cyclohexyl-5-(methoxymethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanol has a molecular weight of 368.44 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-[1-cyclohexyl-5-(methoxymethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanol is sourced from PubChem (CID 66803660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).