1-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]propan-2-ol

C10H18N2O2 — CID 115079148

IUPAC1-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]propan-2-ol
SMILESCC(O)Cc1noc(CC(C)(C)C)n1
InChIInChI=1S/C10H18N2O2/c1-7(13)5-8-11-9(14-12-8)6-10(2,3)4/h7,13H,5-6H2,1-4H3
InChIKeyIGYNQBYNMCYBAV-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.58
Rot. Bonds3

About 1-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]propan-2-ol

1-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]propan-2-ol (PubChem CID 115079148) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]propan-2-ol.

Molecular Properties

Compound Name1-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]propan-2-ol
PubChem CID115079148
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]propan-2-ol
SMILESCC(O)Cc1noc(CC(C)(C)C)n1
InChIInChI=1S/C10H18N2O2/c1-7(13)5-8-11-9(14-12-8)6-10(2,3)4/h7,13H,5-6H2,1-4H3
InChIKeyIGYNQBYNMCYBAV-UHFFFAOYSA-N
XLogP1.58
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,2-dimethylpropyl)-3-ethyl-1,2,4-oxadiazole
CID 58059649
1-(5-benzyl-1,2,4-oxadiazol-3-yl)propan-2-ol
CID 115078804
3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 62667403
4-[[3-(2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 115079062
1-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 64671674
N-[[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 63891054
1-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N,3,3-trimethylbutan-2-amine
CID 63892002
(2S)-2-[[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylpentan-1-amine
CID 104916121
5-(2,2-dimethylpropyl)-1,2,4-oxadiazole-3-carbaldehyde
CID 115079139
1-[5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-ol
CID 115078145
1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol
CID 63349559
1-cyclopropyl-2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 63892201

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]propan-2-ol?
The IUPAC name of 1-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]propan-2-ol (CID 115079148) is 1-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]propan-2-ol.
What is the SMILES notation for 1-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]propan-2-ol?
The canonical SMILES for 1-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]propan-2-ol is CC(O)Cc1noc(CC(C)(C)C)n1.
What is the InChIKey of 1-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]propan-2-ol?
The InChIKey is IGYNQBYNMCYBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-7(13)5-8-11-9(14-12-8)6-10(2,3)4/h7,13H,5-6H2,1-4H3.
What are the key properties of 1-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]propan-2-ol?
1-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]propan-2-ol has a molecular weight of 198.27 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]propan-2-ol is sourced from PubChem (CID 115079148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).