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

C12H22N4O2 — CID 106964571

IUPAC5-[(tert-butylamino)methyl]-N-(3-methyloxolan-3-yl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)(C)NCc1nnc(NC2(C)CCOC2)o1
InChIInChI=1S/C12H22N4O2/c1-11(2,3)13-7-9-15-16-10(18-9)14-12(4)5-6-17-8-12/h13H,5-8H2,1-4H3,(H,14,16)
InChIKeyDWZDZABJPFMFAY-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.55
Rot. Bonds4

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

5-[(tert-butylamino)methyl]-N-(3-methyloxolan-3-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 106964571) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N-(3-methyloxolan-3-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N-(3-methyloxolan-3-yl)-1,3,4-oxadiazol-2-amine
PubChem CID106964571
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name5-[(tert-butylamino)methyl]-N-(3-methyloxolan-3-yl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)(C)NCc1nnc(NC2(C)CCOC2)o1
InChIInChI=1S/C12H22N4O2/c1-11(2,3)13-7-9-15-16-10(18-9)14-12(4)5-6-17-8-12/h13H,5-8H2,1-4H3,(H,14,16)
InChIKeyDWZDZABJPFMFAY-UHFFFAOYSA-N
XLogP1.55
TPSA72.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(ethylaminomethyl)-N-(4-methyloxan-4-yl)-1,3,4-oxadiazol-2-amine
CID 106964634
5-[(tert-butylamino)methyl]-N-[(1-methylcyclopentyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106961224
5-[1-(methylamino)ethyl]-N-(3-methyloxolan-3-yl)-1,3,4-oxadiazol-2-amine
CID 106964569
5-(methylaminomethyl)-N-(1-methylcyclohexyl)-1,3,4-oxadiazol-2-amine
CID 106970860
5-[(tert-butylamino)methyl]-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine
CID 106967641
1-[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-4-methylpiperidin-4-ol
CID 106963185
5-[(tert-butylamino)methyl]-N-(cyclohexylmethyl)-1,3,4-oxadiazol-2-amine
CID 106968921
5-[(tert-butylamino)methyl]-N-(5-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-amine
CID 106968953
5-[(tert-butylamino)methyl]-N-(1,3-thiazol-5-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106965416
5-[(tert-butylamino)methyl]-N-(3-cyclopropylpropyl)-1,3,4-oxadiazol-2-amine
CID 106965461
5-[(tert-butylamino)methyl]-N-(3,5-dimethylcyclohexyl)-1,3,4-oxadiazol-2-amine
CID 106962282
5-[(tert-butylamino)methyl]-N-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-amine
CID 106966186

Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-N-(3-methyloxolan-3-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N-(3-methyloxolan-3-yl)-1,3,4-oxadiazol-2-amine (CID 106964571) is 5-[(tert-butylamino)methyl]-N-(3-methyloxolan-3-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N-(3-methyloxolan-3-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N-(3-methyloxolan-3-yl)-1,3,4-oxadiazol-2-amine is CC(C)(C)NCc1nnc(NC2(C)CCOC2)o1.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N-(3-methyloxolan-3-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is DWZDZABJPFMFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-11(2,3)13-7-9-15-16-10(18-9)14-12(4)5-6-17-8-12/h13H,5-8H2,1-4H3,(H,14,16).
What are the key properties of 5-[(tert-butylamino)methyl]-N-(3-methyloxolan-3-yl)-1,3,4-oxadiazol-2-amine?
5-[(tert-butylamino)methyl]-N-(3-methyloxolan-3-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 254.33 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(tert-butylamino)methyl]-N-(3-methyloxolan-3-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106964571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).