5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol

C14H11N3O3 — CID 63844535

IUPAC5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
SMILESOc1cncc(-c2nc(COc3ccccc3)no2)c1
InChIInChI=1S/C14H11N3O3/c18-11-6-10(7-15-8-11)14-16-13(17-20-14)9-19-12-4-2-1-3-5-12/h1-8,18H,9H2
InChIKeyGOTZLZWDNKCJEX-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.42
Rot. Bonds4

About 5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol

5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol (PubChem CID 63844535) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
PubChem CID63844535
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
SMILESOc1cncc(-c2nc(COc3ccccc3)no2)c1
InChIInChI=1S/C14H11N3O3/c18-11-6-10(7-15-8-11)14-16-13(17-20-14)9-19-12-4-2-1-3-5-12/h1-8,18H,9H2
InChIKeyGOTZLZWDNKCJEX-UHFFFAOYSA-N
XLogP2.42
TPSA81.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63844357
2-bromo-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 104937955
2-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63844897
3-[(4-methoxyphenoxy)methyl]-5-phenyl-1,2,4-oxadiazole
CID 42692255
5-[3-[(2-bromophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 66145476
5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 63845583
3-[(3-methylphenoxy)methyl]-5-phenyl-1,2,4-oxadiazole
CID 23205015
5-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 106815773
5-phenyl-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 42692252
[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
CID 106484747
5-[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 115534543
5-[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 66143046

Frequently Asked Questions

What is the IUPAC name of 5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol?
The IUPAC name of 5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol (CID 63844535) is 5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol.
What is the SMILES notation for 5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol?
The canonical SMILES for 5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol is Oc1cncc(-c2nc(COc3ccccc3)no2)c1.
What is the InChIKey of 5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol?
The InChIKey is GOTZLZWDNKCJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c18-11-6-10(7-15-8-11)14-16-13(17-20-14)9-19-12-4-2-1-3-5-12/h1-8,18H,9H2.
What are the key properties of 5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol?
5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol has a molecular weight of 269.26 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol is sourced from PubChem (CID 63844535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).