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

C17H16N2O2 — CID 136751099

IUPAC2-methyl-4-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1cc(-c2nc(CCc3ccccc3)no2)ccc1O
InChIInChI=1S/C17H16N2O2/c1-12-11-14(8-9-15(12)20)17-18-16(19-21-17)10-7-13-5-3-2-4-6-13/h2-6,8-9,11,20H,7,10H2,1H3
InChIKeyVNALCKFZOTWLRD-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.54
Rot. Bonds4

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

2-methyl-4-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 136751099) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-methyl-4-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name2-methyl-4-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID136751099
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-methyl-4-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1cc(-c2nc(CCc3ccccc3)no2)ccc1O
InChIInChI=1S/C17H16N2O2/c1-12-11-14(8-9-15(12)20)17-18-16(19-21-17)10-7-13-5-3-2-4-6-13/h2-6,8-9,11,20H,7,10H2,1H3
InChIKeyVNALCKFZOTWLRD-UHFFFAOYSA-N
XLogP3.54
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63847009
2-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol
CID 136751064
2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136813443
4-fluoro-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 137011370
4-methyl-3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63654035
4-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyridine-2-sulfonamide
CID 99839607
2-methyl-4-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136927432
N-[2-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]aniline
CID 1133771
2-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63844897
2-methyl-5-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol
CID 63844920
2-methyl-5-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol
CID 63846134
4-(3-ethyl-1,2,4-oxadiazol-5-yl)benzene-1,2-diol
CID 136904389

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 2-methyl-4-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]phenol (CID 136751099) is 2-methyl-4-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 2-methyl-4-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 2-methyl-4-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]phenol is Cc1cc(-c2nc(CCc3ccccc3)no2)ccc1O.
What is the InChIKey of 2-methyl-4-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is VNALCKFZOTWLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12-11-14(8-9-15(12)20)17-18-16(19-21-17)10-7-13-5-3-2-4-6-13/h2-6,8-9,11,20H,7,10H2,1H3.
What are the key properties of 2-methyl-4-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]phenol?
2-methyl-4-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 280.33 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 136751099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).