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

C15H21ClN4O — CID 106971203

IUPAC5-[(tert-butylamino)methyl]-N-[1-(3-chlorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCC(Nc1nnc(CNC(C)(C)C)o1)c1cccc(Cl)c1
InChIInChI=1S/C15H21ClN4O/c1-10(11-6-5-7-12(16)8-11)18-14-20-19-13(21-14)9-17-15(2,3)4/h5-8,10,17H,9H2,1-4H3,(H,18,20)
InChIKeyZDZYMQJIFXIQID-UHFFFAOYSA-N
MW308.81 g/mol
LogP3.78
Rot. Bonds5

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

5-[(tert-butylamino)methyl]-N-[1-(3-chlorophenyl)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106971203) has the molecular formula C15H21ClN4O and a molecular weight of 308.81 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N-[1-(3-chlorophenyl)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N-[1-(3-chlorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID106971203
Molecular FormulaC15H21ClN4O
Molecular Weight308.81 g/mol
Exact Mass308.14
IUPAC Name5-[(tert-butylamino)methyl]-N-[1-(3-chlorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCC(Nc1nnc(CNC(C)(C)C)o1)c1cccc(Cl)c1
InChIInChI=1S/C15H21ClN4O/c1-10(11-6-5-7-12(16)8-11)18-14-20-19-13(21-14)9-17-15(2,3)4/h5-8,10,17H,9H2,1-4H3,(H,18,20)
InChIKeyZDZYMQJIFXIQID-UHFFFAOYSA-N
XLogP3.78
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-chloroethyl)-N-[1-(3-chlorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106957184
N-[1-(3-chlorophenyl)ethyl]-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106971199
5-[(tert-butylamino)methyl]-N-(3-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine
CID 106968457
N-[1-(3-chlorophenyl)ethyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106971201
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
5-[(tert-butylamino)methyl]-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106390517
5-(methylaminomethyl)-N-[1-(4-propan-2-ylphenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 137343503
5-[(tert-butylamino)methyl]-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine
CID 106967641
5-[(tert-butylamino)methyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 106967981
N-[1-(3-fluorophenyl)ethyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106970761
5-[(tert-butylamino)methyl]-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106964534

Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-N-[1-(3-chlorophenyl)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N-[1-(3-chlorophenyl)ethyl]-1,3,4-oxadiazol-2-amine (CID 106971203) is 5-[(tert-butylamino)methyl]-N-[1-(3-chlorophenyl)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N-[1-(3-chlorophenyl)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N-[1-(3-chlorophenyl)ethyl]-1,3,4-oxadiazol-2-amine is CC(Nc1nnc(CNC(C)(C)C)o1)c1cccc(Cl)c1.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N-[1-(3-chlorophenyl)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is ZDZYMQJIFXIQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O/c1-10(11-6-5-7-12(16)8-11)18-14-20-19-13(21-14)9-17-15(2,3)4/h5-8,10,17H,9H2,1-4H3,(H,18,20).
What are the key properties of 5-[(tert-butylamino)methyl]-N-[1-(3-chlorophenyl)ethyl]-1,3,4-oxadiazol-2-amine?
5-[(tert-butylamino)methyl]-N-[1-(3-chlorophenyl)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 308.81 g/mol, XLogP of 3.78, 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-[1-(3-chlorophenyl)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106971203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).