5-[(tert-butylamino)methyl]-N-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-amine

C16H24N4O — CID 106966186

IUPAC5-[(tert-butylamino)methyl]-N-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-amine
SMILESCc1cc(C)c(Nc2nnc(CNC(C)(C)C)o2)c(C)c1
InChIInChI=1S/C16H24N4O/c1-10-7-11(2)14(12(3)8-10)18-15-20-19-13(21-15)9-17-16(4,5)6/h7-8,17H,9H2,1-6H3,(H,18,20)
InChIKeyMSIBCTLEBBENFW-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.63
Rot. Bonds4

About 5-[(tert-butylamino)methyl]-N-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-amine

5-[(tert-butylamino)methyl]-N-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106966186) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-amine
PubChem CID106966186
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name5-[(tert-butylamino)methyl]-N-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-amine
SMILESCc1cc(C)c(Nc2nnc(CNC(C)(C)C)o2)c(C)c1
InChIInChI=1S/C16H24N4O/c1-10-7-11(2)14(12(3)8-10)18-15-20-19-13(21-15)9-17-16(4,5)6/h7-8,17H,9H2,1-6H3,(H,18,20)
InChIKeyMSIBCTLEBBENFW-UHFFFAOYSA-N
XLogP3.63
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-methylpropylamino)methyl]-N-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-amine
CID 106966187
5-[(tert-butylamino)methyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 106967981
5-[(tert-butylamino)methyl]-N-(5-chloro-2-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 106966090
5-[(tert-butylamino)methyl]-N-(5-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-amine
CID 106968953
5-[(tert-butylamino)methyl]-N-(3-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine
CID 106968457
N-(4-bromo-2,6-dimethylphenyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106966047
5-[(tert-butylamino)methyl]-N-(2,3-dihydro-1H-inden-5-yl)-1,3,4-oxadiazol-2-amine
CID 106966786
N-(4-bromo-2-chlorophenyl)-5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968579
5-[(tert-butylamino)methyl]-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine
CID 106967641
2-methyl-N-[[5-(2,4,6-trimethylphenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65184322
5-[(tert-butylamino)methyl]-N-[(5-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 106960373
N-(2,6-dibromo-4-methylphenyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106966963

Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-N-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-amine (CID 106966186) is 5-[(tert-butylamino)methyl]-N-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-amine is Cc1cc(C)c(Nc2nnc(CNC(C)(C)C)o2)c(C)c1.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is MSIBCTLEBBENFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-10-7-11(2)14(12(3)8-10)18-15-20-19-13(21-15)9-17-16(4,5)6/h7-8,17H,9H2,1-6H3,(H,18,20).
What are the key properties of 5-[(tert-butylamino)methyl]-N-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-amine?
5-[(tert-butylamino)methyl]-N-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 288.39 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(tert-butylamino)methyl]-N-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106966186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).