3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol

C14H16N2O3 — CID 65334211

IUPAC3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
SMILESOc1cccc(Cc2nc(C3CCOCC3)no2)c1
InChIInChI=1S/C14H16N2O3/c17-12-3-1-2-10(8-12)9-13-15-14(16-19-13)11-4-6-18-7-5-11/h1-3,8,11,17H,4-7,9H2
InChIKeyGZUCZHLRUHXGRQ-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.26
Rot. Bonds3

About 3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol

3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol (PubChem CID 65334211) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
PubChem CID65334211
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
SMILESOc1cccc(Cc2nc(C3CCOCC3)no2)c1
InChIInChI=1S/C14H16N2O3/c17-12-3-1-2-10(8-12)9-13-15-14(16-19-13)11-4-6-18-7-5-11/h1-3,8,11,17H,4-7,9H2
InChIKeyGZUCZHLRUHXGRQ-UHFFFAOYSA-N
XLogP2.26
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 65329458
4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenol
CID 63851274
3-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 65345651
4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]phenol
CID 55258328
2-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 80740545
2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone
CID 65334732
3-[[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 115078870
4-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]phenol
CID 97444140
3-[(3S)-oxolan-3-yl]-5-[(2-phenylmethoxyphenyl)methyl]-1,2,4-oxadiazole
CID 97443860
1-[5-[(3-hydroxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-one
CID 115078829
3-[[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 63845617
3-[[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 65133331

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
The IUPAC name of 3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol (CID 65334211) is 3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol.
What is the SMILES notation for 3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
The canonical SMILES for 3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol is Oc1cccc(Cc2nc(C3CCOCC3)no2)c1.
What is the InChIKey of 3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
The InChIKey is GZUCZHLRUHXGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c17-12-3-1-2-10(8-12)9-13-15-14(16-19-13)11-4-6-18-7-5-11/h1-3,8,11,17H,4-7,9H2.
What are the key properties of 3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol has a molecular weight of 260.29 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol is sourced from PubChem (CID 65334211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).