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

C19H26N2O2 — CID 46087322

IUPAC5-(4-tert-butylphenyl)-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)CCNC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)on1
InChIInChI=1S/C19H26N2O2/c1-13(2)10-11-20-18(22)16-12-17(23-21-16)14-6-8-15(9-7-14)19(3,4)5/h6-9,12-13H,10-11H2,1-5H3,(H,20,22)
InChIKeyOFAVMHFPWXIJAF-UHFFFAOYSA-N
MW314.43 g/mol
LogP4.41
Rot. Bonds5

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

5-(4-tert-butylphenyl)-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide (PubChem CID 46087322) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide
PubChem CID46087322
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name5-(4-tert-butylphenyl)-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)CCNC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)on1
InChIInChI=1S/C19H26N2O2/c1-13(2)10-11-20-18(22)16-12-17(23-21-16)14-6-8-15(9-7-14)19(3,4)5/h6-9,12-13H,10-11H2,1-5H3,(H,20,22)
InChIKeyOFAVMHFPWXIJAF-UHFFFAOYSA-N
XLogP4.41
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-5-(4-tert-butylphenyl)-1,2-oxazole-3-carboxamide
CID 71090833
5-(4-tert-butylphenyl)-N-(2-methylprop-2-enyl)-1,2-oxazole-3-carboxamide
CID 24964413
N-[2-(4-tert-butylphenyl)ethyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
CID 112845456
N-(3-aminobutyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 119498092
5-phenyl-N-[2-(2,2,4-trimethylpentanoylamino)ethyl]-1,2-oxazole-3-carboxamide
CID 131991756
N-[(2R)-2-(4-tert-butylphenyl)-2-(dimethylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 26833910
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3-methylbutyl)acetamide
CID 16878594
N-(2-amino-2-methylpropyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 119629061
5-(4-bromophenyl)-N-butyl-1,2-oxazole-3-carboxamide
CID 22427396
5-(4-fluorophenyl)-N-(3-propan-2-yloxypropyl)-1,2-oxazole-3-carboxamide
CID 99600147
2-(4-tert-butylanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333226
N-[(2R)-2-(4-tert-butylphenyl)-2-(diethylamino)ethyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxamide
CID 97161699

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-tert-butylphenyl)-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide (CID 46087322) is 5-(4-tert-butylphenyl)-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-tert-butylphenyl)-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-tert-butylphenyl)-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide is CC(C)CCNC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)on1.
What is the InChIKey of 5-(4-tert-butylphenyl)-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide?
The InChIKey is OFAVMHFPWXIJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-13(2)10-11-20-18(22)16-12-17(23-21-16)14-6-8-15(9-7-14)19(3,4)5/h6-9,12-13H,10-11H2,1-5H3,(H,20,22).
What are the key properties of 5-(4-tert-butylphenyl)-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide?
5-(4-tert-butylphenyl)-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 46087322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).