2-methyl-N-[[5-(5-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine

C12H21N3O2 — CID 114827218

IUPAC2-methyl-N-[[5-(5-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
SMILESCC1CC(c2nnc(CNC(C)(C)C)o2)CO1
InChIInChI=1S/C12H21N3O2/c1-8-5-9(7-16-8)11-15-14-10(17-11)6-13-12(2,3)4/h8-9,13H,5-7H2,1-4H3
InChIKeyAHBVFQMJCGRITR-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.85
Rot. Bonds3

About 2-methyl-N-[[5-(5-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine

2-methyl-N-[[5-(5-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine (PubChem CID 114827218) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-methyl-N-[[5-(5-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-(5-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
PubChem CID114827218
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-methyl-N-[[5-(5-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
SMILESCC1CC(c2nnc(CNC(C)(C)C)o2)CO1
InChIInChI=1S/C12H21N3O2/c1-8-5-9(7-16-8)11-15-14-10(17-11)6-13-12(2,3)4/h8-9,13H,5-7H2,1-4H3
InChIKeyAHBVFQMJCGRITR-UHFFFAOYSA-N
XLogP1.85
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[[5-(5-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[5-(5-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 114827216
N-[[5-(1,1-dioxothiolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 64904807
2-methyl-N-[[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62213585
2-bromo-5-(5-methyloxolan-3-yl)-1,3,4-oxadiazole
CID 114824090
5-[(tert-butylamino)methyl]-N-(3,5-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine
CID 106962282
N-[[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62138711
5-[(tert-butylamino)methyl]-N-[(2-methylcyclohexyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106969824
5-[(tert-butylamino)methyl]-N-(cyclohexylmethyl)-1,3,4-oxadiazol-2-amine
CID 106968921
2-methyl-N-[[5-(2-methylcyclopropyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 79146142
2-methyl-N-[[5-(2-methylazepan-1-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 106961987
5-[(tert-butylamino)methyl]-N-(3-cyclopropylpropyl)-1,3,4-oxadiazol-2-amine
CID 106965461
[4-[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-6-methylmorpholin-2-yl]methanol
CID 106965807

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(5-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[5-(5-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine (CID 114827218) is 2-methyl-N-[[5-(5-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[5-(5-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[5-(5-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine is CC1CC(c2nnc(CNC(C)(C)C)o2)CO1.
What is the InChIKey of 2-methyl-N-[[5-(5-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
The InChIKey is AHBVFQMJCGRITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-8-5-9(7-16-8)11-15-14-10(17-11)6-13-12(2,3)4/h8-9,13H,5-7H2,1-4H3.
What are the key properties of 2-methyl-N-[[5-(5-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine?
2-methyl-N-[[5-(5-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine has a molecular weight of 239.32 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(5-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 114827218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).