2-(1-amino-2-methylpropyl)-N-(3,4-dimethylphenyl)-1,3-oxazole-4-carboxamide

C16H21N3O2 — CID 3847870

IUPAC2-(1-amino-2-methylpropyl)-N-(3,4-dimethylphenyl)-1,3-oxazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2coc(C(N)C(C)C)n2)cc1C
InChIInChI=1S/C16H21N3O2/c1-9(2)14(17)16-19-13(8-21-16)15(20)18-12-6-5-10(3)11(4)7-12/h5-9,14H,17H2,1-4H3,(H,18,20)
InChIKeyIWCLXTAALFIUOG-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.20
Rot. Bonds4

About 2-(1-amino-2-methylpropyl)-N-(3,4-dimethylphenyl)-1,3-oxazole-4-carboxamide

2-(1-amino-2-methylpropyl)-N-(3,4-dimethylphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 3847870) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(1-amino-2-methylpropyl)-N-(3,4-dimethylphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-amino-2-methylpropyl)-N-(3,4-dimethylphenyl)-1,3-oxazole-4-carboxamide
PubChem CID3847870
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-(1-amino-2-methylpropyl)-N-(3,4-dimethylphenyl)-1,3-oxazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2coc(C(N)C(C)C)n2)cc1C
InChIInChI=1S/C16H21N3O2/c1-9(2)14(17)16-19-13(8-21-16)15(20)18-12-6-5-10(3)11(4)7-12/h5-9,14H,17H2,1-4H3,(H,18,20)
InChIKeyIWCLXTAALFIUOG-UHFFFAOYSA-N
XLogP3.20
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-amino-2-hydroxyethyl)-N-(3,4-dimethylphenyl)-1,3-oxazole-4-carboxamide
CID 3695546
2-(1-amino-2-methylpropyl)-N-(4-bromophenyl)-1,3-oxazole-4-carboxamide
CID 3827756
2-(1-amino-2-hydroxypropyl)-N-(4-iodophenyl)-1,3-oxazole-4-carboxamide
CID 3862698
2-(1-aminoethyl)-N-(4-iodophenyl)-1,3-oxazole-4-carboxamide
CID 5182510
N-(3,4-dimethylphenyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 17253289
2-(1-amino-2-methylpropyl)-N-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3788399
N-[4-(4-aminobenzoyl)phenyl]-2-(1-amino-2-hydroxypropyl)-1,3-oxazole-4-carboxamide
CID 3864832
2-(1-amino-2-methylpropyl)-N-hexadecyl-1,3-oxazole-4-carboxamide
CID 3839797
2-(1-amino-2-methylpropyl)-N-[1-(4-bromophenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 3850439
2-(1-amino-2-methylbutyl)-N-[4-[2-(4-aminophenyl)ethyl]phenyl]-1,3-oxazole-4-carboxamide
CID 3866544
2-(1-amino-3-methylbutyl)-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 3435152
2-(1-amino-3-methylbutyl)-N-(3-ethylphenyl)-1,3-oxazole-4-carboxamide
CID 3791845

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-methylpropyl)-N-(3,4-dimethylphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-amino-2-methylpropyl)-N-(3,4-dimethylphenyl)-1,3-oxazole-4-carboxamide (CID 3847870) is 2-(1-amino-2-methylpropyl)-N-(3,4-dimethylphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-amino-2-methylpropyl)-N-(3,4-dimethylphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-amino-2-methylpropyl)-N-(3,4-dimethylphenyl)-1,3-oxazole-4-carboxamide is Cc1ccc(NC(=O)c2coc(C(N)C(C)C)n2)cc1C.
What is the InChIKey of 2-(1-amino-2-methylpropyl)-N-(3,4-dimethylphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is IWCLXTAALFIUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-9(2)14(17)16-19-13(8-21-16)15(20)18-12-6-5-10(3)11(4)7-12/h5-9,14H,17H2,1-4H3,(H,18,20).
What are the key properties of 2-(1-amino-2-methylpropyl)-N-(3,4-dimethylphenyl)-1,3-oxazole-4-carboxamide?
2-(1-amino-2-methylpropyl)-N-(3,4-dimethylphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-methylpropyl)-N-(3,4-dimethylphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3847870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).