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

C15H12N2O3 — CID 63844357

IUPAC3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1cccc(-c2nc(COc3ccccc3)no2)c1
InChIInChI=1S/C15H12N2O3/c18-12-6-4-5-11(9-12)15-16-14(17-20-15)10-19-13-7-2-1-3-8-13/h1-9,18H,10H2
InChIKeyQRNVMKMUAJBYGD-UHFFFAOYSA-N
MW268.27 g/mol
LogP3.02
Rot. Bonds4

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

3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 63844357) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID63844357
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1cccc(-c2nc(COc3ccccc3)no2)c1
InChIInChI=1S/C15H12N2O3/c18-12-6-4-5-11(9-12)15-16-14(17-20-15)10-19-13-7-2-1-3-8-13/h1-9,18H,10H2
InChIKeyQRNVMKMUAJBYGD-UHFFFAOYSA-N
XLogP3.02
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 104937955
5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 63844535
2-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63844897
3-[(3-methylphenoxy)methyl]-5-phenyl-1,2,4-oxadiazole
CID 23205015
3-[(4-methoxyphenoxy)methyl]-5-phenyl-1,2,4-oxadiazole
CID 42692255
[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
CID 106484747
3-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63844927
5-(3-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole
CID 42692369
5-phenyl-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 42692252
4-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]aniline
CID 61035214
3-[(2,6-dichlorophenoxy)methyl]-5-phenyl-1,2,4-oxadiazole
CID 78848420
N-methyl-2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62715487

Frequently Asked Questions

What is the IUPAC name of 3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol (CID 63844357) is 3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol is Oc1cccc(-c2nc(COc3ccccc3)no2)c1.
What is the InChIKey of 3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is QRNVMKMUAJBYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c18-12-6-4-5-11(9-12)15-16-14(17-20-15)10-19-13-7-2-1-3-8-13/h1-9,18H,10H2.
What are the key properties of 3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol?
3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 268.27 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 63844357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).