1-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol

C12H14N2O2 — CID 102660586

IUPAC1-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol
SMILESCc1ccc(Cc2nc(C(C)O)no2)cc1
InChIInChI=1S/C12H14N2O2/c1-8-3-5-10(6-4-8)7-11-13-12(9(2)15)14-16-11/h3-6,9,15H,7H2,1-2H3
InChIKeyNEVSUKSPKZCAEQ-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.02
Rot. Bonds3

About 1-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol

1-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol (PubChem CID 102660586) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol.

Molecular Properties

Compound Name1-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol
PubChem CID102660586
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name1-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol
SMILESCc1ccc(Cc2nc(C(C)O)no2)cc1
InChIInChI=1S/C12H14N2O2/c1-8-3-5-10(6-4-8)7-11-13-12(9(2)15)14-16-11/h3-6,9,15H,7H2,1-2H3
InChIKeyNEVSUKSPKZCAEQ-UHFFFAOYSA-N
XLogP2.02
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-amine
CID 63692412
1-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
CID 104634360
1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 61326226
3-[(4-bromophenyl)methyl]-5-[(4-methylphenyl)methyl]-1,2,4-oxadiazole
CID 56648292
4-[[3-(2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 115079062
N-ethyl-1-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 62827855
1-[5-(2-methylbutyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660564
N-methyl-3-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63352252
5-[(4-methylphenyl)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 895193
3-(4-methylphenyl)-5-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole
CID 8895143
2-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 62330251
1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanol
CID 75525832

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol?
The IUPAC name of 1-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol (CID 102660586) is 1-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol.
What is the SMILES notation for 1-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol?
The canonical SMILES for 1-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol is Cc1ccc(Cc2nc(C(C)O)no2)cc1.
What is the InChIKey of 1-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol?
The InChIKey is NEVSUKSPKZCAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8-3-5-10(6-4-8)7-11-13-12(9(2)15)14-16-11/h3-6,9,15H,7H2,1-2H3.
What are the key properties of 1-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol?
1-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol has a molecular weight of 218.26 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol is sourced from PubChem (CID 102660586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).