[3-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]pyrrolidin-1-yl]-pyridin-4-ylmethanone

C24H20N4O3 — CID 91915163

IUPAC[3-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]pyrrolidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCC(Oc2ccc(-c3noc(-c4ccccc4)n3)cc2)C1
InChIInChI=1S/C24H20N4O3/c29-24(19-10-13-25-14-11-19)28-15-12-21(16-28)30-20-8-6-17(7-9-20)22-26-23(31-27-22)18-4-2-1-3-5-18/h1-11,13-14,21H,12,15-16H2
InChIKeyJBGATYWSRAYVOR-UHFFFAOYSA-N
MW412.45 g/mol
LogP4.09
Rot. Bonds5

About [3-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]pyrrolidin-1-yl]-pyridin-4-ylmethanone

[3-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]pyrrolidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 91915163) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is [3-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]pyrrolidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[3-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]pyrrolidin-1-yl]-pyridin-4-ylmethanone
PubChem CID91915163
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC Name[3-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]pyrrolidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCC(Oc2ccc(-c3noc(-c4ccccc4)n3)cc2)C1
InChIInChI=1S/C24H20N4O3/c29-24(19-10-13-25-14-11-19)28-15-12-21(16-28)30-20-8-6-17(7-9-20)22-26-23(31-27-22)18-4-2-1-3-5-18/h1-11,13-14,21H,12,15-16H2
InChIKeyJBGATYWSRAYVOR-UHFFFAOYSA-N
XLogP4.09
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-phenoxypyrrolidin-1-yl)-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 119065515
pyrimidin-5-yl-[3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyrrolidin-1-yl]methanone
CID 146461674
pyridin-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone
CID 110876433
(2-fluorophenyl)-[3-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyrrolidin-1-yl]methanone
CID 146461668
(4-fluorophenyl)-[3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone
CID 91905542
(3-pyridin-4-yloxypyrrolidin-1-yl)-(4-quinolin-8-ylphenyl)methanone
CID 166194792
pyridin-4-yl-[(3R)-3-[[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]oxy]pyrrolidin-1-yl]methanone
CID 146461664
(4-tert-butylphenyl)-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methanone
CID 124568876
pyridin-4-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone
CID 126850635
2-(3-methoxyphenyl)-1-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]ethanone
CID 91905478
naphthalen-1-yl-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methanone
CID 124878377
furan-2-yl-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methanone
CID 124725318

Frequently Asked Questions

What is the IUPAC name of [3-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [3-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]pyrrolidin-1-yl]-pyridin-4-ylmethanone (CID 91915163) is [3-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]pyrrolidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [3-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [3-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]pyrrolidin-1-yl]-pyridin-4-ylmethanone is O=C(c1ccncc1)N1CCC(Oc2ccc(-c3noc(-c4ccccc4)n3)cc2)C1.
What is the InChIKey of [3-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is JBGATYWSRAYVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3/c29-24(19-10-13-25-14-11-19)28-15-12-21(16-28)30-20-8-6-17(7-9-20)22-26-23(31-27-22)18-4-2-1-3-5-18/h1-11,13-14,21H,12,15-16H2.
What are the key properties of [3-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]pyrrolidin-1-yl]-pyridin-4-ylmethanone?
[3-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]pyrrolidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 412.45 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]pyrrolidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 91915163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).