N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride

C16H22ClN3O2 — CID 119526650

IUPACN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride
SMILESCc1cc(C(=O)NCC(N)c2ccc(C(C)C)cc2)no1.Cl
InChIInChI=1S/C16H21N3O2.ClH/c1-10(2)12-4-6-13(7-5-12)14(17)9-18-16(20)15-8-11(3)21-19-15;/h4-8,10,14H,9,17H2,1-3H3,(H,18,20);1H
InChIKeyJTRMTIJEBIFQOG-UHFFFAOYSA-N
MW323.82 g/mol
LogP2.96
Rot. Bonds5

About N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride (PubChem CID 119526650) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride
PubChem CID119526650
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride
SMILESCc1cc(C(=O)NCC(N)c2ccc(C(C)C)cc2)no1.Cl
InChIInChI=1S/C16H21N3O2.ClH/c1-10(2)12-4-6-13(7-5-12)14(17)9-18-16(20)15-8-11(3)21-19-15;/h4-8,10,14H,9,17H2,1-3H3,(H,18,20);1H
InChIKeyJTRMTIJEBIFQOG-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 110279895
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119525872
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide;dihydrochloride
CID 119526848
N-[(2R)-2-hydroxypropyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 83030687
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide;hydrochloride
CID 119526376
N-[(2R)-2-(ethylamino)propyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 120654528
methyl 2-bromo-3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoate
CID 103492671
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 119525591
5-methyl-N-[(2S)-2-methyl-3-(methylamino)propyl]-1,2-oxazole-3-carboxamide
CID 97325190
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 119525893
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methylfuran-2-carboxamide
CID 119525583
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-bromopyridine-2-carboxamide
CID 119526197

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride (CID 119526650) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride is Cc1cc(C(=O)NCC(N)c2ccc(C(C)C)cc2)no1.Cl.
What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride?
The InChIKey is JTRMTIJEBIFQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2.ClH/c1-10(2)12-4-6-13(7-5-12)14(17)9-18-16(20)15-8-11(3)21-19-15;/h4-8,10,14H,9,17H2,1-3H3,(H,18,20);1H.
What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride?
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride has a molecular weight of 323.82 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119526650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).