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

C12H14N2O2 — CID 91499209

IUPACN,N-dimethyl-5-phenyl-2,5-dihydro-1,2-oxazole-3-carboxamide
SMILESCN(C)C(=O)C1=CC(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
InChIKeyLRWLZSVEIKWHRE-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.23
Rot. Bonds2

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

N,N-dimethyl-5-phenyl-2,5-dihydro-1,2-oxazole-3-carboxamide (PubChem CID 91499209) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is N,N-dimethyl-5-phenyl-2,5-dihydro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-phenyl-2,5-dihydro-1,2-oxazole-3-carboxamide
PubChem CID91499209
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC NameN,N-dimethyl-5-phenyl-2,5-dihydro-1,2-oxazole-3-carboxamide
SMILESCN(C)C(=O)C1=CC(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
InChIKeyLRWLZSVEIKWHRE-UHFFFAOYSA-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 N,N-dimethyl-5-phenyl-2,5-dihydro-1,2-oxazole-3-carboxamide?
The IUPAC name of N,N-dimethyl-5-phenyl-2,5-dihydro-1,2-oxazole-3-carboxamide (CID 91499209) is N,N-dimethyl-5-phenyl-2,5-dihydro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-phenyl-2,5-dihydro-1,2-oxazole-3-carboxamide?
The canonical SMILES for N,N-dimethyl-5-phenyl-2,5-dihydro-1,2-oxazole-3-carboxamide is CN(C)C(=O)C1=CC(c2ccccc2)ON1.
What is the InChIKey of N,N-dimethyl-5-phenyl-2,5-dihydro-1,2-oxazole-3-carboxamide?
The InChIKey is LRWLZSVEIKWHRE-UHFFFAOYSA-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.
What are the key properties of N,N-dimethyl-5-phenyl-2,5-dihydro-1,2-oxazole-3-carboxamide?
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 N,N-dimethyl-5-phenyl-2,5-dihydro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 91499209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).