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

C14H16N2O3 — CID 138999515

IUPAC5-(oxan-4-yl)-3-(phenoxymethyl)-1,2,4-oxadiazole
SMILESc1ccc(OCc2noc(C3CCOCC3)n2)cc1
InChIInChI=1S/C14H16N2O3/c1-2-4-12(5-3-1)18-10-13-15-14(19-16-13)11-6-8-17-9-7-11/h1-5,11H,6-10H2
InChIKeyXWBGOMHVUZKAIJ-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.54
Rot. Bonds4

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

5-(oxan-4-yl)-3-(phenoxymethyl)-1,2,4-oxadiazole (PubChem CID 138999515) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 5-(oxan-4-yl)-3-(phenoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(oxan-4-yl)-3-(phenoxymethyl)-1,2,4-oxadiazole
PubChem CID138999515
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name5-(oxan-4-yl)-3-(phenoxymethyl)-1,2,4-oxadiazole
SMILESc1ccc(OCc2noc(C3CCOCC3)n2)cc1
InChIInChI=1S/C14H16N2O3/c1-2-4-12(5-3-1)18-10-13-15-14(19-16-13)11-6-8-17-9-7-11/h1-5,11H,6-10H2
InChIKeyXWBGOMHVUZKAIJ-UHFFFAOYSA-N
XLogP2.54
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

cis-(1S,3R)-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106323295
3-(phenoxymethyl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 62717200
5-cyclopropyl-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole
CID 63861878
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]aniline
CID 54959696
5-[(2R,5S)-5-methyloxolan-2-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 129381348
3-(2-phenoxyethyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 29045231
[(2R,5R)-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]oxolan-2-yl]methanamine
CID 129372919
2-[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]acetic acid
CID 61496904
4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
CID 83200622
N-methyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66235822
(2S)-2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
CID 120836385
4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]thiolan-3-one
CID 83200610

Frequently Asked Questions

What is the IUPAC name of 5-(oxan-4-yl)-3-(phenoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(oxan-4-yl)-3-(phenoxymethyl)-1,2,4-oxadiazole (CID 138999515) is 5-(oxan-4-yl)-3-(phenoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(oxan-4-yl)-3-(phenoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(oxan-4-yl)-3-(phenoxymethyl)-1,2,4-oxadiazole is c1ccc(OCc2noc(C3CCOCC3)n2)cc1.
What is the InChIKey of 5-(oxan-4-yl)-3-(phenoxymethyl)-1,2,4-oxadiazole?
The InChIKey is XWBGOMHVUZKAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-2-4-12(5-3-1)18-10-13-15-14(19-16-13)11-6-8-17-9-7-11/h1-5,11H,6-10H2.
What are the key properties of 5-(oxan-4-yl)-3-(phenoxymethyl)-1,2,4-oxadiazole?
5-(oxan-4-yl)-3-(phenoxymethyl)-1,2,4-oxadiazole has a molecular weight of 260.29 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-4-yl)-3-(phenoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 138999515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).