2-(oxan-3-yl)-5-(2-phenoxy-4-pyridinyl)-1,3,4-oxadiazole

C18H17N3O3 — CID 167756386

IUPAC2-(oxan-3-yl)-5-(2-phenoxy-4-pyridinyl)-1,3,4-oxadiazole
SMILESc1ccc(Oc2cc(-c3nnc(C4CCCOC4)o3)ccn2)cc1
InChIInChI=1S/C18H17N3O3/c1-2-6-15(7-3-1)23-16-11-13(8-9-19-16)17-20-21-18(24-17)14-5-4-10-22-12-14/h1-3,6-9,11,14H,4-5,10,12H2
InChIKeyAGWGJTLWMYPVPN-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.82
Rot. Bonds4

About 2-(oxan-3-yl)-5-(2-phenoxy-4-pyridinyl)-1,3,4-oxadiazole

2-(oxan-3-yl)-5-(2-phenoxy-4-pyridinyl)-1,3,4-oxadiazole (PubChem CID 167756386) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-(oxan-3-yl)-5-(2-phenoxy-4-pyridinyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(oxan-3-yl)-5-(2-phenoxy-4-pyridinyl)-1,3,4-oxadiazole
PubChem CID167756386
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name2-(oxan-3-yl)-5-(2-phenoxy-4-pyridinyl)-1,3,4-oxadiazole
SMILESc1ccc(Oc2cc(-c3nnc(C4CCCOC4)o3)ccn2)cc1
InChIInChI=1S/C18H17N3O3/c1-2-6-15(7-3-1)23-16-11-13(8-9-19-16)17-20-21-18(24-17)14-5-4-10-22-12-14/h1-3,6-9,11,14H,4-5,10,12H2
InChIKeyAGWGJTLWMYPVPN-UHFFFAOYSA-N
XLogP3.82
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]benzoic acid
CID 63382181
2-(4-fluoro-3-methoxyphenyl)-5-(oxan-3-yl)-1,3,4-oxadiazole
CID 154757653
4-[5-[2-(oxolan-3-yloxy)-4-pyridinyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-2-one
CID 167928447
2-cyclopentyl-5-phenyl-1,3,4-oxadiazole
CID 83382259
2-cyclopentyl-5-pyridin-4-yl-1,3,4-oxadiazole
CID 53017492
4-(oxiran-2-yl)-2-phenoxypyridine
CID 87452152
2-cyclohexyl-5-pyridin-4-yl-1,3,4-oxadiazole
CID 863679
2-(2,4-dimethyl-1,3-oxazol-5-yl)-5-(oxan-3-yl)-1,3,4-oxadiazole
CID 154807280
4-dibenzofuran-3-yl-2-phenoxypyridine
CID 140715186
2,5-dimethyl-6-[5-(oxan-3-yl)-1,3,4-oxadiazol-2-yl]-3-phenyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 155884244
2-[2-(2-methoxyphenyl)ethyl]-5-(oxan-3-yl)-1,3,4-oxadiazole
CID 167743789
2,5-bis[3-(oxolan-3-yl)phenyl]-1,3,4-oxadiazole
CID 138012179

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-3-yl)-5-(2-phenoxy-4-pyridinyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(oxan-3-yl)-5-(2-phenoxy-4-pyridinyl)-1,3,4-oxadiazole (CID 167756386) is 2-(oxan-3-yl)-5-(2-phenoxy-4-pyridinyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(oxan-3-yl)-5-(2-phenoxy-4-pyridinyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(oxan-3-yl)-5-(2-phenoxy-4-pyridinyl)-1,3,4-oxadiazole is c1ccc(Oc2cc(-c3nnc(C4CCCOC4)o3)ccn2)cc1.
What is the InChIKey of 2-(oxan-3-yl)-5-(2-phenoxy-4-pyridinyl)-1,3,4-oxadiazole?
The InChIKey is AGWGJTLWMYPVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-2-6-15(7-3-1)23-16-11-13(8-9-19-16)17-20-21-18(24-17)14-5-4-10-22-12-14/h1-3,6-9,11,14H,4-5,10,12H2.
What are the key properties of 2-(oxan-3-yl)-5-(2-phenoxy-4-pyridinyl)-1,3,4-oxadiazole?
2-(oxan-3-yl)-5-(2-phenoxy-4-pyridinyl)-1,3,4-oxadiazole has a molecular weight of 323.35 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-3-yl)-5-(2-phenoxy-4-pyridinyl)-1,3,4-oxadiazole is sourced from PubChem (CID 167756386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).