3-[3-(pyridin-3-ylmethoxy)phenyl]-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole

C18H18N4O2 — CID 120840442

IUPAC3-[3-(pyridin-3-ylmethoxy)phenyl]-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESc1cncc(COc2cccc(-c3noc([C@H]4CCNC4)n3)c2)c1
InChIInChI=1S/C18H18N4O2/c1-4-14(17-21-18(24-22-17)15-6-8-20-11-15)9-16(5-1)23-12-13-3-2-7-19-10-13/h1-5,7,9-10,15,20H,6,8,11-12H2/t15-/m0/s1
InChIKeyUADIRPVVSSVTRX-HNNXBMFYSA-N
MW322.37 g/mol
LogP2.79
Rot. Bonds5

About 3-[3-(pyridin-3-ylmethoxy)phenyl]-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole

3-[3-(pyridin-3-ylmethoxy)phenyl]-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole (PubChem CID 120840442) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 3-[3-(pyridin-3-ylmethoxy)phenyl]-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[3-(pyridin-3-ylmethoxy)phenyl]-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole
PubChem CID120840442
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name3-[3-(pyridin-3-ylmethoxy)phenyl]-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESc1cncc(COc2cccc(-c3noc([C@H]4CCNC4)n3)c2)c1
InChIInChI=1S/C18H18N4O2/c1-4-14(17-21-18(24-22-17)15-6-8-20-11-15)9-16(5-1)23-12-13-3-2-7-19-10-13/h1-5,7,9-10,15,20H,6,8,11-12H2/t15-/m0/s1
InChIKeyUADIRPVVSSVTRX-HNNXBMFYSA-N
XLogP2.79
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-pyridin-3-yl-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 94917646
3-(3-methoxyphenyl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 63032530
5-(2-piperidin-4-ylethyl)-3-[3-(pyridin-3-ylmethoxy)phenyl]-1,2,4-oxadiazole;hydrochloride
CID 120840531
3-(3-methoxyphenyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride
CID 120841699
5-[(2S,4S)-1,2-dimethylpiperidin-4-yl]-3-[3-(pyridin-3-ylmethoxy)phenyl]-1,2,4-oxadiazole
CID 138044059
3-(3-ethoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 43519291
5-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-[3-(pyridin-3-ylmethoxy)phenyl]-1,2,4-oxadiazole
CID 98787255
3-(3-methoxyphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 28805640
3-(3-methoxyphenyl)-5-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride
CID 119948489
3-[3-(piperidin-1-ylmethyl)phenyl]-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride
CID 120839306
4-[[3-[5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine
CID 120840307
3-(4-methoxyphenyl)-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 120838044

Frequently Asked Questions

What is the IUPAC name of 3-[3-(pyridin-3-ylmethoxy)phenyl]-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-[3-(pyridin-3-ylmethoxy)phenyl]-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole (CID 120840442) is 3-[3-(pyridin-3-ylmethoxy)phenyl]-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[3-(pyridin-3-ylmethoxy)phenyl]-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[3-(pyridin-3-ylmethoxy)phenyl]-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole is c1cncc(COc2cccc(-c3noc([C@H]4CCNC4)n3)c2)c1.
What is the InChIKey of 3-[3-(pyridin-3-ylmethoxy)phenyl]-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is UADIRPVVSSVTRX-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-4-14(17-21-18(24-22-17)15-6-8-20-11-15)9-16(5-1)23-12-13-3-2-7-19-10-13/h1-5,7,9-10,15,20H,6,8,11-12H2/t15-/m0/s1.
What are the key properties of 3-[3-(pyridin-3-ylmethoxy)phenyl]-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole?
3-[3-(pyridin-3-ylmethoxy)phenyl]-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 322.37 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(pyridin-3-ylmethoxy)phenyl]-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 120840442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).