3-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)oxyphenyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole

C23H21N5O3 — CID 133294645

IUPAC3-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)oxyphenyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole
SMILESCCc1cc(Oc2ccc(-c3noc(C4CCCO4)n3)cc2)nc(-c2ccncc2)n1
InChIInChI=1S/C23H21N5O3/c1-2-17-14-20(26-21(25-17)16-9-11-24-12-10-16)30-18-7-5-15(6-8-18)22-27-23(31-28-22)19-4-3-13-29-19/h5-12,14,19H,2-4,13H2,1H3
InChIKeyGXNREFXIIFUJFT-UHFFFAOYSA-N
MW415.45 g/mol
LogP4.79
Rot. Bonds6

About 3-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)oxyphenyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole

3-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)oxyphenyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole (PubChem CID 133294645) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is 3-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)oxyphenyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)oxyphenyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole
PubChem CID133294645
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC Name3-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)oxyphenyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole
SMILESCCc1cc(Oc2ccc(-c3noc(C4CCCO4)n3)cc2)nc(-c2ccncc2)n1
InChIInChI=1S/C23H21N5O3/c1-2-17-14-20(26-21(25-17)16-9-11-24-12-10-16)30-18-7-5-15(6-8-18)22-27-23(31-28-22)19-4-3-13-29-19/h5-12,14,19H,2-4,13H2,1H3
InChIKeyGXNREFXIIFUJFT-UHFFFAOYSA-N
XLogP4.79
TPSA96.05 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)oxyphenyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[(2R)-oxolan-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95953302
3-[4-(2-methoxyethoxy)phenyl]-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole
CID 95314954
3-[4-(oxiran-2-ylmethoxy)phenyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole
CID 146098585
3-(4-fluorosulfonyloxyphenyl)-5-(oxolan-2-yl)-1,2,4-oxadiazole
CID 154879901
5-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole
CID 133294642
N-cyclopropyl-N-methyl-2-[4-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 56801279
3-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole
CID 133299444
methyl 4-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]benzoate
CID 129370564
3-(4-methylsulfonylphenyl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole
CID 124505405
5-(oxolan-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole
CID 45208254
4-[4-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-[1]benzofuro[3,2-d]pyrimidine
CID 133299457
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-(2-pyridin-4-ylethylsulfonyl)morpholine
CID 110224483

Frequently Asked Questions

What is the IUPAC name of 3-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)oxyphenyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)oxyphenyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole (CID 133294645) is 3-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)oxyphenyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)oxyphenyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)oxyphenyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole is CCc1cc(Oc2ccc(-c3noc(C4CCCO4)n3)cc2)nc(-c2ccncc2)n1.
What is the InChIKey of 3-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)oxyphenyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole?
The InChIKey is GXNREFXIIFUJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c1-2-17-14-20(26-21(25-17)16-9-11-24-12-10-16)30-18-7-5-15(6-8-18)22-27-23(31-28-22)19-4-3-13-29-19/h5-12,14,19H,2-4,13H2,1H3.
What are the key properties of 3-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)oxyphenyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole?
3-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)oxyphenyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole has a molecular weight of 415.45 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)oxyphenyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 133294645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).