3-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-methylbutanamide;hydrochloride

C13H24ClN3O2 — CID 120502331

IUPAC3-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-methylbutanamide;hydrochloride
SMILESCCc1noc(CC)c1CNC(=O)C(C)C(C)N.Cl
InChIInChI=1S/C13H23N3O2.ClH/c1-5-11-10(12(6-2)18-16-11)7-15-13(17)8(3)9(4)14;/h8-9H,5-7,14H2,1-4H3,(H,15,17);1H
InChIKeyOXHYQMFMEXECGB-UHFFFAOYSA-N
MW289.81 g/mol
LogP1.82
Rot. Bonds6

About 3-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-methylbutanamide;hydrochloride

3-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-methylbutanamide;hydrochloride (PubChem CID 120502331) has the molecular formula C13H24ClN3O2 and a molecular weight of 289.81 g/mol. Its IUPAC name is 3-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-methylbutanamide;hydrochloride
PubChem CID120502331
Molecular FormulaC13H24ClN3O2
Molecular Weight289.81 g/mol
Exact Mass289.16
IUPAC Name3-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-methylbutanamide;hydrochloride
SMILESCCc1noc(CC)c1CNC(=O)C(C)C(C)N.Cl
InChIInChI=1S/C13H23N3O2.ClH/c1-5-11-10(12(6-2)18-16-11)7-15-13(17)8(3)9(4)14;/h8-9H,5-7,14H2,1-4H3,(H,15,17);1H
InChIKeyOXHYQMFMEXECGB-UHFFFAOYSA-N
XLogP1.82
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-methylbutanamide;hydrochloride?
The IUPAC name of 3-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-methylbutanamide;hydrochloride (CID 120502331) is 3-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-methylbutanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-methylbutanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-methylbutanamide;hydrochloride is CCc1noc(CC)c1CNC(=O)C(C)C(C)N.Cl.
What is the InChIKey of 3-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-methylbutanamide;hydrochloride?
The InChIKey is OXHYQMFMEXECGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2.ClH/c1-5-11-10(12(6-2)18-16-11)7-15-13(17)8(3)9(4)14;/h8-9H,5-7,14H2,1-4H3,(H,15,17);1H.
What are the key properties of 3-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-methylbutanamide;hydrochloride?
3-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-methylbutanamide;hydrochloride has a molecular weight of 289.81 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-methylbutanamide;hydrochloride is sourced from PubChem (CID 120502331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).