3-amino-2-methyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide;hydrochloride

C15H21ClN4O2 — CID 120502036

IUPAC3-amino-2-methyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide;hydrochloride
SMILESCC(NC(=O)C(C)C(C)N)c1noc(-c2ccccc2)n1.Cl
InChIInChI=1S/C15H20N4O2.ClH/c1-9(10(2)16)14(20)17-11(3)13-18-15(21-19-13)12-7-5-4-6-8-12;/h4-11H,16H2,1-3H3,(H,17,20);1H
InChIKeyPIQRCLBVMGFLRJ-UHFFFAOYSA-N
MW324.81 g/mol
LogP2.32
Rot. Bonds5

About 3-amino-2-methyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide;hydrochloride

3-amino-2-methyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide;hydrochloride (PubChem CID 120502036) has the molecular formula C15H21ClN4O2 and a molecular weight of 324.81 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-2-methyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide;hydrochloride
PubChem CID120502036
Molecular FormulaC15H21ClN4O2
Molecular Weight324.81 g/mol
Exact Mass324.14
IUPAC Name3-amino-2-methyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide;hydrochloride
SMILESCC(NC(=O)C(C)C(C)N)c1noc(-c2ccccc2)n1.Cl
InChIInChI=1S/C15H20N4O2.ClH/c1-9(10(2)16)14(20)17-11(3)13-18-15(21-19-13)12-7-5-4-6-8-12;/h4-11H,16H2,1-3H3,(H,17,20);1H
InChIKeyPIQRCLBVMGFLRJ-UHFFFAOYSA-N
XLogP2.32
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide;hydrochloride?
The IUPAC name of 3-amino-2-methyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide;hydrochloride (CID 120502036) is 3-amino-2-methyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-2-methyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-2-methyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide;hydrochloride is CC(NC(=O)C(C)C(C)N)c1noc(-c2ccccc2)n1.Cl.
What is the InChIKey of 3-amino-2-methyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide;hydrochloride?
The InChIKey is PIQRCLBVMGFLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2.ClH/c1-9(10(2)16)14(20)17-11(3)13-18-15(21-19-13)12-7-5-4-6-8-12;/h4-11H,16H2,1-3H3,(H,17,20);1H.
What are the key properties of 3-amino-2-methyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide;hydrochloride?
3-amino-2-methyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide;hydrochloride has a molecular weight of 324.81 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide;hydrochloride is sourced from PubChem (CID 120502036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).