(4R,5S)-N,N,5-trimethyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carboxamide

C13H16N2O2 — CID 100963122

IUPAC(4R,5S)-N,N,5-trimethyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carboxamide
SMILESC[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)N(C)C
InChIInChI=1S/C13H16N2O2/c1-9-11(13(16)15(2)3)12(14-17-9)10-7-5-4-6-8-10/h4-9,11H,1-3H3/t9-,11-/m0/s1
InChIKeyZLTDTZDUYUFECN-ONGXEEELSA-N
MW232.28 g/mol
LogP1.51
Rot. Bonds2

About (4R,5S)-N,N,5-trimethyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carboxamide

(4R,5S)-N,N,5-trimethyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carboxamide (PubChem CID 100963122) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is (4R,5S)-N,N,5-trimethyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name(4R,5S)-N,N,5-trimethyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carboxamide
PubChem CID100963122
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name(4R,5S)-N,N,5-trimethyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carboxamide
SMILESC[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)N(C)C
InChIInChI=1S/C13H16N2O2/c1-9-11(13(16)15(2)3)12(14-17-9)10-7-5-4-6-8-10/h4-9,11H,1-3H3/t9-,11-/m0/s1
InChIKeyZLTDTZDUYUFECN-ONGXEEELSA-N
XLogP1.51
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-N,N,5-trimethyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carboxamide?
The IUPAC name of (4R,5S)-N,N,5-trimethyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carboxamide (CID 100963122) is (4R,5S)-N,N,5-trimethyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carboxamide.
What is the SMILES notation for (4R,5S)-N,N,5-trimethyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carboxamide?
The canonical SMILES for (4R,5S)-N,N,5-trimethyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carboxamide is C[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)N(C)C.
What is the InChIKey of (4R,5S)-N,N,5-trimethyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carboxamide?
The InChIKey is ZLTDTZDUYUFECN-ONGXEEELSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9-11(13(16)15(2)3)12(14-17-9)10-7-5-4-6-8-10/h4-9,11H,1-3H3/t9-,11-/m0/s1.
What are the key properties of (4R,5S)-N,N,5-trimethyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carboxamide?
(4R,5S)-N,N,5-trimethyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carboxamide has a molecular weight of 232.28 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-N,N,5-trimethyl-3-phenyl-4,5-dihydro-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 100963122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).