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

C14H20N4O — CID 106967981

IUPAC5-[(tert-butylamino)methyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine
SMILESCc1cccc(Nc2nnc(CNC(C)(C)C)o2)c1
InChIInChI=1S/C14H20N4O/c1-10-6-5-7-11(8-10)16-13-18-17-12(19-13)9-15-14(2,3)4/h5-8,15H,9H2,1-4H3,(H,16,18)
InChIKeyXBDZNJKJUKPYTJ-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.01
Rot. Bonds4

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

5-[(tert-butylamino)methyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106967981) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine
PubChem CID106967981
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name5-[(tert-butylamino)methyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine
SMILESCc1cccc(Nc2nnc(CNC(C)(C)C)o2)c1
InChIInChI=1S/C14H20N4O/c1-10-6-5-7-11(8-10)16-13-18-17-12(19-13)9-15-14(2,3)4/h5-8,15H,9H2,1-4H3,(H,16,18)
InChIKeyXBDZNJKJUKPYTJ-UHFFFAOYSA-N
XLogP3.01
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(tert-butylamino)methyl]-N-(3-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine
CID 106968457
5-[(tert-butylamino)methyl]-N-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-amine
CID 106966186
5-[(tert-butylamino)methyl]-N-(2,3-dihydro-1H-inden-5-yl)-1,3,4-oxadiazol-2-amine
CID 106966786
2-methyl-N-[[5-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62388568
5-[(tert-butylamino)methyl]-N-(5-chloro-2-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 106966090
2-methyl-N-[[5-[2-(3-methylphenoxy)ethyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62137779
5-[(tert-butylamino)methyl]-N-(5-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-amine
CID 106968953
N-(4-bromo-2-chlorophenyl)-5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968579
5-(1-aminoethyl)-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 106967977
5-[(tert-butylamino)methyl]-N-[(5-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 106960373
5-[(tert-butylamino)methyl]-N-[2-(3-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106969194
5-[(tert-butylamino)methyl]-N-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106968170

Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine (CID 106967981) is 5-[(tert-butylamino)methyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine is Cc1cccc(Nc2nnc(CNC(C)(C)C)o2)c1.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is XBDZNJKJUKPYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-10-6-5-7-11(8-10)16-13-18-17-12(19-13)9-15-14(2,3)4/h5-8,15H,9H2,1-4H3,(H,16,18).
What are the key properties of 5-[(tert-butylamino)methyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine?
5-[(tert-butylamino)methyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 260.34 g/mol, XLogP of 3.01, 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-(3-methylphenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106967981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).