3-(4-phenylmethoxyphenyl)-5-pyridin-2-yl-1,2,4-oxadiazole

C20H15N3O2 — CID 6464068

IUPAC3-(4-phenylmethoxyphenyl)-5-pyridin-2-yl-1,2,4-oxadiazole
SMILESc1ccc(COc2ccc(-c3noc(-c4ccccn4)n3)cc2)cc1
InChIInChI=1S/C20H15N3O2/c1-2-6-15(7-3-1)14-24-17-11-9-16(10-12-17)19-22-20(25-23-19)18-8-4-5-13-21-18/h1-13H,14H2
InChIKeyIYVDSDSDTPUXJV-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.38
Rot. Bonds5

About 3-(4-phenylmethoxyphenyl)-5-pyridin-2-yl-1,2,4-oxadiazole

3-(4-phenylmethoxyphenyl)-5-pyridin-2-yl-1,2,4-oxadiazole (PubChem CID 6464068) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 3-(4-phenylmethoxyphenyl)-5-pyridin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-phenylmethoxyphenyl)-5-pyridin-2-yl-1,2,4-oxadiazole
PubChem CID6464068
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name3-(4-phenylmethoxyphenyl)-5-pyridin-2-yl-1,2,4-oxadiazole
SMILESc1ccc(COc2ccc(-c3noc(-c4ccccn4)n3)cc2)cc1
InChIInChI=1S/C20H15N3O2/c1-2-6-15(7-3-1)14-24-17-11-9-16(10-12-17)19-22-20(25-23-19)18-8-4-5-13-21-18/h1-13H,14H2
InChIKeyIYVDSDSDTPUXJV-UHFFFAOYSA-N
XLogP4.38
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(4-methylphenoxy)phenyl]-5-pyridin-2-yl-1,2,4-oxadiazole
CID 53103262
3-[3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 23008157
[3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 23008072
5-[4-[(2-chlorophenyl)methoxy]phenyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 8814544
5-(3-phenylmethoxyphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 8778801
5-(phenoxymethyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 880364
5-(4-phenylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 838877
5-(4-methylphenyl)-3-(3-phenylmethoxyphenyl)-1,2,4-oxadiazole
CID 42851376
3-(4-phenylmethoxyphenyl)-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole
CID 46923435
4-[4-[[4-[(2,6-dipyridin-2-yl-4-pyridinyl)oxymethyl]phenyl]methoxy]phenyl]-2-[4-[4-[[4-[(2,6-dipyridin-2-yl-4-pyridinyl)oxymethyl]phenyl]methoxy]phenyl]-6-pyridin-2-yl-2-pyridinyl]-6-pyridin-2-ylpyridine
CID 100993285
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-phenylmethoxyphenoxy)acetate
CID 29364003
(2-pyridin-2-yl-1,3-benzoxazol-6-yl) 4-phenylmethoxybenzoate
CID 110494815

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylmethoxyphenyl)-5-pyridin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(4-phenylmethoxyphenyl)-5-pyridin-2-yl-1,2,4-oxadiazole (CID 6464068) is 3-(4-phenylmethoxyphenyl)-5-pyridin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-phenylmethoxyphenyl)-5-pyridin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-phenylmethoxyphenyl)-5-pyridin-2-yl-1,2,4-oxadiazole is c1ccc(COc2ccc(-c3noc(-c4ccccn4)n3)cc2)cc1.
What is the InChIKey of 3-(4-phenylmethoxyphenyl)-5-pyridin-2-yl-1,2,4-oxadiazole?
The InChIKey is IYVDSDSDTPUXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c1-2-6-15(7-3-1)14-24-17-11-9-16(10-12-17)19-22-20(25-23-19)18-8-4-5-13-21-18/h1-13H,14H2.
What are the key properties of 3-(4-phenylmethoxyphenyl)-5-pyridin-2-yl-1,2,4-oxadiazole?
3-(4-phenylmethoxyphenyl)-5-pyridin-2-yl-1,2,4-oxadiazole has a molecular weight of 329.36 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylmethoxyphenyl)-5-pyridin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 6464068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).