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

C11H20ClN3O2 — CID 119344939

IUPAC(2S)-2-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]propanamide;hydrochloride
SMILESCCc1noc(CC)c1CNC(=O)[C@H](C)N.Cl
InChIInChI=1S/C11H19N3O2.ClH/c1-4-9-8(10(5-2)16-14-9)6-13-11(15)7(3)12;/h7H,4-6,12H2,1-3H3,(H,13,15);1H/t7-;/m0./s1
InChIKeyARPGSYWZFQOHAS-FJXQXJEOSA-N
MW261.75 g/mol
LogP1.18
Rot. Bonds5

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

(2S)-2-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]propanamide;hydrochloride (PubChem CID 119344939) has the molecular formula C11H20ClN3O2 and a molecular weight of 261.75 g/mol. Its IUPAC name is (2S)-2-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]propanamide;hydrochloride
PubChem CID119344939
Molecular FormulaC11H20ClN3O2
Molecular Weight261.75 g/mol
Exact Mass261.12
IUPAC Name(2S)-2-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]propanamide;hydrochloride
SMILESCCc1noc(CC)c1CNC(=O)[C@H](C)N.Cl
InChIInChI=1S/C11H19N3O2.ClH/c1-4-9-8(10(5-2)16-14-9)6-13-11(15)7(3)12;/h7H,4-6,12H2,1-3H3,(H,13,15);1H/t7-;/m0./s1
InChIKeyARPGSYWZFQOHAS-FJXQXJEOSA-N
XLogP1.18
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]propanamide;hydrochloride (CID 119344939) is (2S)-2-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]propanamide;hydrochloride is CCc1noc(CC)c1CNC(=O)[C@H](C)N.Cl.
What is the InChIKey of (2S)-2-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]propanamide;hydrochloride?
The InChIKey is ARPGSYWZFQOHAS-FJXQXJEOSA-N. The full InChI is InChI=1S/C11H19N3O2.ClH/c1-4-9-8(10(5-2)16-14-9)6-13-11(15)7(3)12;/h7H,4-6,12H2,1-3H3,(H,13,15);1H/t7-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]propanamide;hydrochloride?
(2S)-2-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]propanamide;hydrochloride has a molecular weight of 261.75 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]propanamide;hydrochloride is sourced from PubChem (CID 119344939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).