N-tert-butyl-5-(furan-2-yl)-2-(4-methylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide

C19H22N2O3 — CID 5239483

IUPACN-tert-butyl-5-(furan-2-yl)-2-(4-methylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide
SMILESCc1ccc(C2=NC(C(=O)NC(C)(C)C)C(c3ccco3)O2)cc1
InChIInChI=1S/C19H22N2O3/c1-12-7-9-13(10-8-12)18-20-15(17(22)21-19(2,3)4)16(24-18)14-6-5-11-23-14/h5-11,15-16H,1-4H3,(H,21,22)
InChIKeyZVNYLFXGRRIQMX-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.39
Rot. Bonds3

About N-tert-butyl-5-(furan-2-yl)-2-(4-methylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide

N-tert-butyl-5-(furan-2-yl)-2-(4-methylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide (PubChem CID 5239483) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-tert-butyl-5-(furan-2-yl)-2-(4-methylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-(furan-2-yl)-2-(4-methylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide
PubChem CID5239483
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-tert-butyl-5-(furan-2-yl)-2-(4-methylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide
SMILESCc1ccc(C2=NC(C(=O)NC(C)(C)C)C(c3ccco3)O2)cc1
InChIInChI=1S/C19H22N2O3/c1-12-7-9-13(10-8-12)18-20-15(17(22)21-19(2,3)4)16(24-18)14-6-5-11-23-14/h5-11,15-16H,1-4H3,(H,21,22)
InChIKeyZVNYLFXGRRIQMX-UHFFFAOYSA-N
XLogP3.39
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(furan-2-yl)-2-(4-methylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide?
The IUPAC name of N-tert-butyl-5-(furan-2-yl)-2-(4-methylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide (CID 5239483) is N-tert-butyl-5-(furan-2-yl)-2-(4-methylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-tert-butyl-5-(furan-2-yl)-2-(4-methylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-tert-butyl-5-(furan-2-yl)-2-(4-methylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide is Cc1ccc(C2=NC(C(=O)NC(C)(C)C)C(c3ccco3)O2)cc1.
What is the InChIKey of N-tert-butyl-5-(furan-2-yl)-2-(4-methylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide?
The InChIKey is ZVNYLFXGRRIQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-12-7-9-13(10-8-12)18-20-15(17(22)21-19(2,3)4)16(24-18)14-6-5-11-23-14/h5-11,15-16H,1-4H3,(H,21,22).
What are the key properties of N-tert-butyl-5-(furan-2-yl)-2-(4-methylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide?
N-tert-butyl-5-(furan-2-yl)-2-(4-methylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(furan-2-yl)-2-(4-methylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 5239483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).