3,3-dimethyl-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol

C15H20N2O2 — CID 63344942

IUPAC3,3-dimethyl-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
SMILESCc1ccccc1-c1noc(CC(O)C(C)(C)C)n1
InChIInChI=1S/C15H20N2O2/c1-10-7-5-6-8-11(10)14-16-13(19-17-14)9-12(18)15(2,3)4/h5-8,12,18H,9H2,1-4H3
InChIKeyGPLBRVPOOKKVHY-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.99
Rot. Bonds3

About 3,3-dimethyl-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol

3,3-dimethyl-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol (PubChem CID 63344942) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3,3-dimethyl-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol.

Molecular Properties

Compound Name3,3-dimethyl-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
PubChem CID63344942
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3,3-dimethyl-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
SMILESCc1ccccc1-c1noc(CC(O)C(C)(C)C)n1
InChIInChI=1S/C15H20N2O2/c1-10-7-5-6-8-11(10)14-16-13(19-17-14)9-12(18)15(2,3)4/h5-8,12,18H,9H2,1-4H3
InChIKeyGPLBRVPOOKKVHY-UHFFFAOYSA-N
XLogP2.99
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-ol
CID 55201059
2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
CID 63345566
3,3-dimethyl-1-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63349339
1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 43358487
3,3-dimethyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63345645
3,3-dimethyl-1-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 115531401
1-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-ol
CID 63349225
3,3-dimethyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63345917
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol
CID 63346050
3,3-dimethyl-1-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63349675
(1S)-2,2-dimethyl-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 93057373
2-[methyl-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]propan-1-ol
CID 112548713

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
The IUPAC name of 3,3-dimethyl-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol (CID 63344942) is 3,3-dimethyl-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol.
What is the SMILES notation for 3,3-dimethyl-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
The canonical SMILES for 3,3-dimethyl-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol is Cc1ccccc1-c1noc(CC(O)C(C)(C)C)n1.
What is the InChIKey of 3,3-dimethyl-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
The InChIKey is GPLBRVPOOKKVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10-7-5-6-8-11(10)14-16-13(19-17-14)9-12(18)15(2,3)4/h5-8,12,18H,9H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
3,3-dimethyl-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol has a molecular weight of 260.34 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol is sourced from PubChem (CID 63344942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).