3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol

C15H21N3O2 — CID 115359974

IUPAC3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNCc1nc(Cc2ccccc2)no1
InChIInChI=1S/C15H21N3O2/c1-15(2,11-19)10-16-9-14-17-13(18-20-14)8-12-6-4-3-5-7-12/h3-7,16,19H,8-11H2,1-2H3
InChIKeyRNKFQSQFAMDXOT-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.77
Rot. Bonds7

About 3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol

3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol (PubChem CID 115359974) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol
PubChem CID115359974
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNCc1nc(Cc2ccccc2)no1
InChIInChI=1S/C15H21N3O2/c1-15(2,11-19)10-16-9-14-17-13(18-20-14)8-12-6-4-3-5-7-12/h3-7,16,19H,8-11H2,1-2H3
InChIKeyRNKFQSQFAMDXOT-UHFFFAOYSA-N
XLogP1.77
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 104760594
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-phenylmethanamine
CID 43663035
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpentan-3-amine
CID 103746603
2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methylacetamide
CID 43663077
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylbut-2-en-1-amine
CID 106547122
2,2,2-trifluoro-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 79258677
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylbutan-2-amine
CID 43663072
1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 106813128
2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methylpropanamide
CID 61464371
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-methylcyclopropan-1-amine
CID 113485424
2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dimethylbutanoic acid
CID 43471044
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N'-cyclopropyl-N'-methylethane-1,2-diamine
CID 62977426

Frequently Asked Questions

What is the IUPAC name of 3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol (CID 115359974) is 3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol is CC(C)(CO)CNCc1nc(Cc2ccccc2)no1.
What is the InChIKey of 3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol?
The InChIKey is RNKFQSQFAMDXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-15(2,11-19)10-16-9-14-17-13(18-20-14)8-12-6-4-3-5-7-12/h3-7,16,19H,8-11H2,1-2H3.
What are the key properties of 3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol?
3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol has a molecular weight of 275.35 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 115359974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).