N-(1-amino-2,3-dimethylbutan-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide;hydrochloride

C16H22ClN3O2 — CID 119606599

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide;hydrochloride
SMILESCC(C)C(C)(CN)NC(=O)c1cc(-c2ccccc2)on1.Cl
InChIInChI=1S/C16H21N3O2.ClH/c1-11(2)16(3,10-17)18-15(20)13-9-14(21-19-13)12-7-5-4-6-8-12;/h4-9,11H,10,17H2,1-3H3,(H,18,20);1H
InChIKeyRHRIUKLYDHRJPO-UHFFFAOYSA-N
MW323.82 g/mol
LogP2.87
Rot. Bonds5

About N-(1-amino-2,3-dimethylbutan-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide;hydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide;hydrochloride (PubChem CID 119606599) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide;hydrochloride
PubChem CID119606599
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide;hydrochloride
SMILESCC(C)C(C)(CN)NC(=O)c1cc(-c2ccccc2)on1.Cl
InChIInChI=1S/C16H21N3O2.ClH/c1-11(2)16(3,10-17)18-15(20)13-9-14(21-19-13)12-7-5-4-6-8-12;/h4-9,11H,10,17H2,1-3H3,(H,18,20);1H
InChIKeyRHRIUKLYDHRJPO-UHFFFAOYSA-N
XLogP2.87
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 119608679
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N-(1-amino-2,3-dimethylbutan-2-yl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 81486962
N-(2-hydroxypropyl)-5-phenyl-1,2-oxazole-3-carboxamide
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CID 119608056
N-pentan-2-yl-5-phenyl-1,2-oxazole-3-carboxamide
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N-(1-amino-2,3-dimethylbutan-2-yl)-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide
CID 119609069
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N-[2-(methylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 120827875
N-(3-hydroxy-2-methylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 65031495
5-phenyl-N-[2-(2,2,4-trimethylpentanoylamino)ethyl]-1,2-oxazole-3-carboxamide
CID 131991756
N-(1-amino-2,3-dimethylbutan-2-yl)-2-phenylacetamide;hydrochloride
CID 119608428

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide;hydrochloride (CID 119606599) is N-(1-amino-2,3-dimethylbutan-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide;hydrochloride is CC(C)C(C)(CN)NC(=O)c1cc(-c2ccccc2)on1.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide;hydrochloride?
The InChIKey is RHRIUKLYDHRJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2.ClH/c1-11(2)16(3,10-17)18-15(20)13-9-14(21-19-13)12-7-5-4-6-8-12;/h4-9,11H,10,17H2,1-3H3,(H,18,20);1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide;hydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide;hydrochloride has a molecular weight of 323.82 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119606599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).