(5R)-N,N-dimethyl-5-phenyl-2,5-dihydro-1,2-oxazole-3-carboxamide

C12H14N2O2 — CID 90960344

IUPAC(5R)-N,N-dimethyl-5-phenyl-2,5-dihydro-1,2-oxazole-3-carboxamide
SMILESCN(C)C(=O)C1=C[C@H](c2ccccc2)ON1
InChIInChI=1S/C12H14N2O2/c1-14(2)12(15)10-8-11(16-13-10)9-6-4-3-5-7-9/h3-8,11,13H,1-2H3/t11-/m1/s1
InChIKeyLRWLZSVEIKWHRE-LLVKDONJSA-N
MW218.26 g/mol
LogP1.23
Rot. Bonds2

About (5R)-N,N-dimethyl-5-phenyl-2,5-dihydro-1,2-oxazole-3-carboxamide

(5R)-N,N-dimethyl-5-phenyl-2,5-dihydro-1,2-oxazole-3-carboxamide (PubChem CID 90960344) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is (5R)-N,N-dimethyl-5-phenyl-2,5-dihydro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name(5R)-N,N-dimethyl-5-phenyl-2,5-dihydro-1,2-oxazole-3-carboxamide
PubChem CID90960344
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name(5R)-N,N-dimethyl-5-phenyl-2,5-dihydro-1,2-oxazole-3-carboxamide
SMILESCN(C)C(=O)C1=C[C@H](c2ccccc2)ON1
InChIInChI=1S/C12H14N2O2/c1-14(2)12(15)10-8-11(16-13-10)9-6-4-3-5-7-9/h3-8,11,13H,1-2H3/t11-/m1/s1
InChIKeyLRWLZSVEIKWHRE-LLVKDONJSA-N
XLogP1.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-N,N-dimethyl-5-phenyl-2,5-dihydro-1,2-oxazole-3-carboxamide?
The IUPAC name of (5R)-N,N-dimethyl-5-phenyl-2,5-dihydro-1,2-oxazole-3-carboxamide (CID 90960344) is (5R)-N,N-dimethyl-5-phenyl-2,5-dihydro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for (5R)-N,N-dimethyl-5-phenyl-2,5-dihydro-1,2-oxazole-3-carboxamide?
The canonical SMILES for (5R)-N,N-dimethyl-5-phenyl-2,5-dihydro-1,2-oxazole-3-carboxamide is CN(C)C(=O)C1=C[C@H](c2ccccc2)ON1.
What is the InChIKey of (5R)-N,N-dimethyl-5-phenyl-2,5-dihydro-1,2-oxazole-3-carboxamide?
The InChIKey is LRWLZSVEIKWHRE-LLVKDONJSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-14(2)12(15)10-8-11(16-13-10)9-6-4-3-5-7-9/h3-8,11,13H,1-2H3/t11-/m1/s1.
What are the key properties of (5R)-N,N-dimethyl-5-phenyl-2,5-dihydro-1,2-oxazole-3-carboxamide?
(5R)-N,N-dimethyl-5-phenyl-2,5-dihydro-1,2-oxazole-3-carboxamide has a molecular weight of 218.26 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N,N-dimethyl-5-phenyl-2,5-dihydro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 90960344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).