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

C19H22N2O3 — CID 6991267

IUPAC(4R,5R)-N-tert-butyl-5-(furan-2-yl)-2-(4-methylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide
SMILESCc1ccc(C2=N[C@@H](C(=O)NC(C)(C)C)[C@H](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)/t15-,16+/m1/s1
InChIKeyZVNYLFXGRRIQMX-CVEARBPZSA-N
MW326.40 g/mol
LogP3.39
Rot. Bonds3

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

(4R,5R)-N-tert-butyl-5-(furan-2-yl)-2-(4-methylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide (PubChem CID 6991267) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is (4R,5R)-N-tert-butyl-5-(furan-2-yl)-2-(4-methylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name(4R,5R)-N-tert-butyl-5-(furan-2-yl)-2-(4-methylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide
PubChem CID6991267
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name(4R,5R)-N-tert-butyl-5-(furan-2-yl)-2-(4-methylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide
SMILESCc1ccc(C2=N[C@@H](C(=O)NC(C)(C)C)[C@H](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)/t15-,16+/m1/s1
InChIKeyZVNYLFXGRRIQMX-CVEARBPZSA-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 (4R,5R)-N-tert-butyl-5-(furan-2-yl)-2-(4-methylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide?
The IUPAC name of (4R,5R)-N-tert-butyl-5-(furan-2-yl)-2-(4-methylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide (CID 6991267) is (4R,5R)-N-tert-butyl-5-(furan-2-yl)-2-(4-methylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide.
What is the SMILES notation for (4R,5R)-N-tert-butyl-5-(furan-2-yl)-2-(4-methylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide?
The canonical SMILES for (4R,5R)-N-tert-butyl-5-(furan-2-yl)-2-(4-methylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide is Cc1ccc(C2=N[C@@H](C(=O)NC(C)(C)C)[C@H](c3ccco3)O2)cc1.
What is the InChIKey of (4R,5R)-N-tert-butyl-5-(furan-2-yl)-2-(4-methylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide?
The InChIKey is ZVNYLFXGRRIQMX-CVEARBPZSA-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)/t15-,16+/m1/s1.
What are the key properties of (4R,5R)-N-tert-butyl-5-(furan-2-yl)-2-(4-methylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide?
(4R,5R)-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 (4R,5R)-N-tert-butyl-5-(furan-2-yl)-2-(4-methylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 6991267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).