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

C16H24N4O — CID 106968457

IUPAC5-[(tert-butylamino)methyl]-N-(3-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)c1cccc(Nc2nnc(CNC(C)(C)C)o2)c1
InChIInChI=1S/C16H24N4O/c1-11(2)12-7-6-8-13(9-12)18-15-20-19-14(21-15)10-17-16(3,4)5/h6-9,11,17H,10H2,1-5H3,(H,18,20)
InChIKeyIRABNUGHZSIGKR-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.82
Rot. Bonds5

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

5-[(tert-butylamino)methyl]-N-(3-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106968457) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N-(3-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N-(3-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine
PubChem CID106968457
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name5-[(tert-butylamino)methyl]-N-(3-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)c1cccc(Nc2nnc(CNC(C)(C)C)o2)c1
InChIInChI=1S/C16H24N4O/c1-11(2)12-7-6-8-13(9-12)18-15-20-19-14(21-15)10-17-16(3,4)5/h6-9,11,17H,10H2,1-5H3,(H,18,20)
InChIKeyIRABNUGHZSIGKR-UHFFFAOYSA-N
XLogP3.82
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[(tert-butylamino)methyl]-N-(3-propan-2-ylphenyl)-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-[(tert-butylamino)methyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 106967981
5-[(tert-butylamino)methyl]-N-[1-(3-chlorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106971203
5-[(tert-butylamino)methyl]-N-(2,3-dihydro-1H-inden-5-yl)-1,3,4-oxadiazol-2-amine
CID 106966786
5-[(tert-butylamino)methyl]-N-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-amine
CID 106966186
5-[(tert-butylamino)methyl]-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine
CID 106967641
5-[(tert-butylamino)methyl]-N-(5-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-amine
CID 106968953
5-[(tert-butylamino)methyl]-N-(5-chloro-2-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 106966090
3-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]benzenesulfonamide
CID 106966827
N-(4-bromo-2-chlorophenyl)-5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968579
5-[(tert-butylamino)methyl]-N-[2-(3-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106969194
5-[(cyclopropylamino)methyl]-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine
CID 106966723
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-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N-(3-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine (CID 106968457) is 5-[(tert-butylamino)methyl]-N-(3-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N-(3-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N-(3-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine is CC(C)c1cccc(Nc2nnc(CNC(C)(C)C)o2)c1.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N-(3-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is IRABNUGHZSIGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-11(2)12-7-6-8-13(9-12)18-15-20-19-14(21-15)10-17-16(3,4)5/h6-9,11,17H,10H2,1-5H3,(H,18,20).
What are the key properties of 5-[(tert-butylamino)methyl]-N-(3-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine?
5-[(tert-butylamino)methyl]-N-(3-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 288.39 g/mol, XLogP of 3.82, 5 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-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106968457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).