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

C16H14N2O3 — CID 63844897

IUPAC2-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1ccc(-c2nc(COc3ccccc3)no2)cc1O
InChIInChI=1S/C16H14N2O3/c1-11-7-8-12(9-14(11)19)16-17-15(18-21-16)10-20-13-5-3-2-4-6-13/h2-9,19H,10H2,1H3
InChIKeyXTTFFTXMDOWZGW-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.33
Rot. Bonds4

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

2-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 63844897) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name2-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID63844897
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name2-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1ccc(-c2nc(COc3ccccc3)no2)cc1O
InChIInChI=1S/C16H14N2O3/c1-11-7-8-12(9-14(11)19)16-17-15(18-21-16)10-20-13-5-3-2-4-6-13/h2-9,19H,10H2,1H3
InChIKeyXTTFFTXMDOWZGW-UHFFFAOYSA-N
XLogP3.33
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Irampanel
CID 3038472
5-(3-Methoxyphenyl)-3-phenyl-1,2,4-oxadiazole
CID 619837
1-(4-((5-(4-Isobutylphenyl)-1,2,4-oxadiazol-3-yl)methoxy)benzyl)azetidine-3-carboxylic acid
CID 44412755
5-(3,5-Dimethoxyphenyl)-3-phenyl-1,2,4-oxadiazole
CID 868065
3-(4-Methoxyphenyl)-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 877438
3-(2-Methoxyphenyl)-5-phenyl-1,2,4-oxadiazole
CID 2234387
4-[5-(3-Methoxyphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 24747270
(E)-2-(3-(3,4-dimethoxystyryl)-1,2,4-oxadiazol-5-yl)phenol
CID 135419174
5-(3,5-Dimethoxyphenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 666381
3-(4-Methoxybenzyl)-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 817371
N-isopropyl-3-methoxy-N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}benzamide
CID 2226351
3,5-Bis(3-methoxyphenyl)-1,2,4-oxadiazole
CID 2989748

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 2-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol (CID 63844897) is 2-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 2-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 2-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol is Cc1ccc(-c2nc(COc3ccccc3)no2)cc1O.
What is the InChIKey of 2-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is XTTFFTXMDOWZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-11-7-8-12(9-14(11)19)16-17-15(18-21-16)10-20-13-5-3-2-4-6-13/h2-9,19H,10H2,1H3.
What are the key properties of 2-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol?
2-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 282.30 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 63844897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).