5-amino-N-(4-tert-butylphenyl)-3-methyl-1,2-oxazole-4-carboxamide

C15H19N3O2 — CID 713960

IUPAC5-amino-N-(4-tert-butylphenyl)-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(N)c1C(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H19N3O2/c1-9-12(13(16)20-18-9)14(19)17-11-7-5-10(6-8-11)15(2,3)4/h5-8H,16H2,1-4H3,(H,17,19)
InChIKeyHVLKFLDXBOLEBS-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.12
Rot. Bonds2

About 5-amino-N-(4-tert-butylphenyl)-3-methyl-1,2-oxazole-4-carboxamide

5-amino-N-(4-tert-butylphenyl)-3-methyl-1,2-oxazole-4-carboxamide (PubChem CID 713960) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-amino-N-(4-tert-butylphenyl)-3-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(4-tert-butylphenyl)-3-methyl-1,2-oxazole-4-carboxamide
PubChem CID713960
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name5-amino-N-(4-tert-butylphenyl)-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(N)c1C(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H19N3O2/c1-9-12(13(16)20-18-9)14(19)17-11-7-5-10(6-8-11)15(2,3)4/h5-8H,16H2,1-4H3,(H,17,19)
InChIKeyHVLKFLDXBOLEBS-UHFFFAOYSA-N
XLogP3.12
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-(2-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 1263600
N-(4-cyanophenyl)-3,5-dimethylisoxazole-4-carboxamide
CID 2741509
N-{4-[(3,5-dimethylisoxazol-4-yl)carbonylamino]phenyl}acetamide
CID 4791027
N-[4-(diethylamino)phenyl]-3,5-dimethyl-4-isoxazolecarboxamide
CID 4791029
N-(4-cyanophenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 8145913
N-[4-(diethylcarbamoyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 9502259
3-ethyl-5-methyl-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide
CID 17174146
5-amino-N-(4-fluorophenyl)-3-methylisoxazole-4-carboxamide
CID 1263621
N-(3,4-difluorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 3851617
N-(3-acetamidophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 649749
N-2-biphenylyl-3,5-dimethyl-4-isoxazolecarboxamide
CID 1247025
3,5-dimethyl-N-(3-phenylpropyl)-1,2-oxazole-4-carboxamide
CID 2225201

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-tert-butylphenyl)-3-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-amino-N-(4-tert-butylphenyl)-3-methyl-1,2-oxazole-4-carboxamide (CID 713960) is 5-amino-N-(4-tert-butylphenyl)-3-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(4-tert-butylphenyl)-3-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(4-tert-butylphenyl)-3-methyl-1,2-oxazole-4-carboxamide is Cc1noc(N)c1C(=O)Nc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 5-amino-N-(4-tert-butylphenyl)-3-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is HVLKFLDXBOLEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-9-12(13(16)20-18-9)14(19)17-11-7-5-10(6-8-11)15(2,3)4/h5-8H,16H2,1-4H3,(H,17,19).
What are the key properties of 5-amino-N-(4-tert-butylphenyl)-3-methyl-1,2-oxazole-4-carboxamide?
5-amino-N-(4-tert-butylphenyl)-3-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-tert-butylphenyl)-3-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 713960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).