1-amino-3-[3-(3,3-dimethylbutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol

C12H23N3O2 — CID 114211204

IUPAC1-amino-3-[3-(3,3-dimethylbutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol
SMILESCC(C)(C)CCc1noc(CC(C)(O)CN)n1
InChIInChI=1S/C12H23N3O2/c1-11(2,3)6-5-9-14-10(17-15-9)7-12(4,16)8-13/h16H,5-8,13H2,1-4H3
InChIKeyMHKXBAJFSNRMHH-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.30
Rot. Bonds5

About 1-amino-3-[3-(3,3-dimethylbutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol

1-amino-3-[3-(3,3-dimethylbutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol (PubChem CID 114211204) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-amino-3-[3-(3,3-dimethylbutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-[3-(3,3-dimethylbutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol
PubChem CID114211204
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name1-amino-3-[3-(3,3-dimethylbutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol
SMILESCC(C)(C)CCc1noc(CC(C)(O)CN)n1
InChIInChI=1S/C12H23N3O2/c1-11(2,3)6-5-9-14-10(17-15-9)7-12(4,16)8-13/h16H,5-8,13H2,1-4H3
InChIKeyMHKXBAJFSNRMHH-UHFFFAOYSA-N
XLogP1.30
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-3-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol
CID 66002773
1-amino-3-[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol
CID 66002579
1-amino-2-methyl-3-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 66001988
1-amino-3-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol
CID 116741023
3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 62667403
1-amino-3-[3-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol
CID 66003567
1-[3-(3,3-dimethylbutyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 114211184
1-amino-2-methyl-3-[3-(3-methyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 115384990
1-amino-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol
CID 66002973
1-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 64671674
1-amino-3-[3-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol
CID 66002187
5-(2,2-dimethylpropyl)-3-ethyl-1,2,4-oxadiazole
CID 58059649

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[3-(3,3-dimethylbutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-amino-3-[3-(3,3-dimethylbutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol (CID 114211204) is 1-amino-3-[3-(3,3-dimethylbutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-amino-3-[3-(3,3-dimethylbutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-amino-3-[3-(3,3-dimethylbutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol is CC(C)(C)CCc1noc(CC(C)(O)CN)n1.
What is the InChIKey of 1-amino-3-[3-(3,3-dimethylbutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol?
The InChIKey is MHKXBAJFSNRMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-11(2,3)6-5-9-14-10(17-15-9)7-12(4,16)8-13/h16H,5-8,13H2,1-4H3.
What are the key properties of 1-amino-3-[3-(3,3-dimethylbutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol?
1-amino-3-[3-(3,3-dimethylbutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol has a molecular weight of 241.33 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[3-(3,3-dimethylbutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 114211204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).