N-(5-tert-butyl-1,2-oxazol-3-yl)-2,5-dimethylfuran-3-carboxamide

C14H18N2O3 — CID 2811737

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(C(C)(C)C)on2)c(C)o1
InChIInChI=1S/C14H18N2O3/c1-8-6-10(9(2)18-8)13(17)15-12-7-11(19-16-12)14(3,4)5/h6-7H,1-5H3,(H,15,16,17)
InChIKeyVESOOXHASVSCAS-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.43
Rot. Bonds2

About N-(5-tert-butyl-1,2-oxazol-3-yl)-2,5-dimethylfuran-3-carboxamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-2,5-dimethylfuran-3-carboxamide (PubChem CID 2811737) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2,5-dimethylfuran-3-carboxamide
PubChem CID2811737
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(C(C)(C)C)on2)c(C)o1
InChIInChI=1S/C14H18N2O3/c1-8-6-10(9(2)18-8)13(17)15-12-7-11(19-16-12)14(3,4)5/h6-7H,1-5H3,(H,15,16,17)
InChIKeyVESOOXHASVSCAS-UHFFFAOYSA-N
XLogP3.43
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2,5-dimethylfuran-3-carboxamide (CID 2811737) is N-(5-tert-butyl-1,2-oxazol-3-yl)-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)Nc2cc(C(C)(C)C)on2)c(C)o1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-2,5-dimethylfuran-3-carboxamide?
The InChIKey is VESOOXHASVSCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-8-6-10(9(2)18-8)13(17)15-12-7-11(19-16-12)14(3,4)5/h6-7H,1-5H3,(H,15,16,17).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-2,5-dimethylfuran-3-carboxamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-2,5-dimethylfuran-3-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 2811737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).