[3-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol

C18H18N4O2 — CID 129215030

IUPAC[3-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
SMILESOCc1cccc(-c2noc(-c3ccc(N4CCCC4)nc3)n2)c1
InChIInChI=1S/C18H18N4O2/c23-12-13-4-3-5-14(10-13)17-20-18(24-21-17)15-6-7-16(19-11-15)22-8-1-2-9-22/h3-7,10-11,23H,1-2,8-9,12H2
InChIKeyWIYXYEKPWZJTTO-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.89
Rot. Bonds4

About [3-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol

[3-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol (PubChem CID 129215030) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is [3-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
PubChem CID129215030
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name[3-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
SMILESOCc1cccc(-c2noc(-c3ccc(N4CCCC4)nc3)n2)c1
InChIInChI=1S/C18H18N4O2/c23-12-13-4-3-5-14(10-13)17-20-18(24-21-17)15-6-7-16(19-11-15)22-8-1-2-9-22/h3-7,10-11,23H,1-2,8-9,12H2
InChIKeyWIYXYEKPWZJTTO-UHFFFAOYSA-N
XLogP2.89
TPSA75.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol?
The IUPAC name of [3-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol (CID 129215030) is [3-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol.
What is the SMILES notation for [3-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol?
The canonical SMILES for [3-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol is OCc1cccc(-c2noc(-c3ccc(N4CCCC4)nc3)n2)c1.
What is the InChIKey of [3-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol?
The InChIKey is WIYXYEKPWZJTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c23-12-13-4-3-5-14(10-13)17-20-18(24-21-17)15-6-7-16(19-11-15)22-8-1-2-9-22/h3-7,10-11,23H,1-2,8-9,12H2.
What are the key properties of [3-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol?
[3-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol has a molecular weight of 322.37 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol is sourced from PubChem (CID 129215030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).