3-tert-butyl-N-[4-(dimethylamino)phenyl]-5-methyl-1,2-oxazole-4-carboxamide

C17H23N3O2 — CID 110424690

IUPAC3-tert-butyl-N-[4-(dimethylamino)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(C(C)(C)C)c1C(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C17H23N3O2/c1-11-14(15(19-22-11)17(2,3)4)16(21)18-12-7-9-13(10-8-12)20(5)6/h7-10H,1-6H3,(H,18,21)
InChIKeyUIUZKBPRFPZERC-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.60
Rot. Bonds3

About 3-tert-butyl-N-[4-(dimethylamino)phenyl]-5-methyl-1,2-oxazole-4-carboxamide

3-tert-butyl-N-[4-(dimethylamino)phenyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 110424690) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-tert-butyl-N-[4-(dimethylamino)phenyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-N-[4-(dimethylamino)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID110424690
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name3-tert-butyl-N-[4-(dimethylamino)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(C(C)(C)C)c1C(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C17H23N3O2/c1-11-14(15(19-22-11)17(2,3)4)16(21)18-12-7-9-13(10-8-12)20(5)6/h7-10H,1-6H3,(H,18,21)
InChIKeyUIUZKBPRFPZERC-UHFFFAOYSA-N
XLogP3.60
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-tert-butyl-N-[4-(diethylamino)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
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3-tert-butyl-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
CID 110423356
3-tert-butyl-N-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
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3-tert-butyl-5-methyl-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,2-oxazole-4-carboxamide
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3-tert-butyl-5-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]-1,2-oxazole-4-carboxamide
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3-tert-butyl-5-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-1,2-oxazole-4-carboxamide
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N-[4-(dimethylamino)phenyl]-5-methyl-3-(3-nitrophenyl)-1,2-oxazole-4-carboxamide
CID 155555398
N-(4-hydroxyphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 28780641
N,N'-bis[4-(dimethylamino)phenyl]-2,2,3,3-tetrafluorobutanediamide
CID 4195596
N-[4-(dimethylamino)phenyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 110861926
3-tert-butyl-5-methyl-N-[(4-methylphenyl)methyl]-1,2-oxazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-[4-(dimethylamino)phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-tert-butyl-N-[4-(dimethylamino)phenyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 110424690) is 3-tert-butyl-N-[4-(dimethylamino)phenyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-tert-butyl-N-[4-(dimethylamino)phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-tert-butyl-N-[4-(dimethylamino)phenyl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(C(C)(C)C)c1C(=O)Nc1ccc(N(C)C)cc1.
What is the InChIKey of 3-tert-butyl-N-[4-(dimethylamino)phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is UIUZKBPRFPZERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-11-14(15(19-22-11)17(2,3)4)16(21)18-12-7-9-13(10-8-12)20(5)6/h7-10H,1-6H3,(H,18,21).
What are the key properties of 3-tert-butyl-N-[4-(dimethylamino)phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
3-tert-butyl-N-[4-(dimethylamino)phenyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[4-(dimethylamino)phenyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110424690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).