2-amino-2-methyl-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]pentanamide;hydrochloride

C17H24ClN3O2 — CID 119799047

IUPAC2-amino-2-methyl-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]pentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)NC(C)c1ncc(-c2ccccc2)o1.Cl
InChIInChI=1S/C17H23N3O2.ClH/c1-4-10-17(3,18)16(21)20-12(2)15-19-11-14(22-15)13-8-6-5-7-9-13;/h5-9,11-12H,4,10,18H2,1-3H3,(H,20,21);1H
InChIKeyNBKFWYROCATTBA-UHFFFAOYSA-N
MW337.85 g/mol
LogP3.46
Rot. Bonds6

About 2-amino-2-methyl-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]pentanamide;hydrochloride

2-amino-2-methyl-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]pentanamide;hydrochloride (PubChem CID 119799047) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-2-methyl-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]pentanamide;hydrochloride
PubChem CID119799047
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name2-amino-2-methyl-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]pentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)NC(C)c1ncc(-c2ccccc2)o1.Cl
InChIInChI=1S/C17H23N3O2.ClH/c1-4-10-17(3,18)16(21)20-12(2)15-19-11-14(22-15)13-8-6-5-7-9-13;/h5-9,11-12H,4,10,18H2,1-3H3,(H,20,21);1H
InChIKeyNBKFWYROCATTBA-UHFFFAOYSA-N
XLogP3.46
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-2-methyl-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]pentanamide;hydrochloride (CID 119799047) is 2-amino-2-methyl-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-2-methyl-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-2-methyl-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]pentanamide;hydrochloride is CCCC(C)(N)C(=O)NC(C)c1ncc(-c2ccccc2)o1.Cl.
What is the InChIKey of 2-amino-2-methyl-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]pentanamide;hydrochloride?
The InChIKey is NBKFWYROCATTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2.ClH/c1-4-10-17(3,18)16(21)20-12(2)15-19-11-14(22-15)13-8-6-5-7-9-13;/h5-9,11-12H,4,10,18H2,1-3H3,(H,20,21);1H.
What are the key properties of 2-amino-2-methyl-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]pentanamide;hydrochloride?
2-amino-2-methyl-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]pentanamide;hydrochloride has a molecular weight of 337.85 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]pentanamide;hydrochloride is sourced from PubChem (CID 119799047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).