2,5-dimethyl-N-phenyl-1,3-oxazole-4-carboxamide

C12H12N2O2 — CID 53195178

IUPAC2,5-dimethyl-N-phenyl-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccccc2)c(C)o1
InChIInChI=1S/C12H12N2O2/c1-8-11(13-9(2)16-8)12(15)14-10-6-4-3-5-7-10/h3-7H,1-2H3,(H,14,15)
InChIKeySHXSZNQNEJEMGY-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.54
Rot. Bonds2

About 2,5-dimethyl-N-phenyl-1,3-oxazole-4-carboxamide

2,5-dimethyl-N-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 53195178) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2,5-dimethyl-N-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-phenyl-1,3-oxazole-4-carboxamide
PubChem CID53195178
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name2,5-dimethyl-N-phenyl-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccccc2)c(C)o1
InChIInChI=1S/C12H12N2O2/c1-8-11(13-9(2)16-8)12(15)14-10-6-4-3-5-7-10/h3-7H,1-2H3,(H,14,15)
InChIKeySHXSZNQNEJEMGY-UHFFFAOYSA-N
XLogP2.54
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2,5-dimethyl-N-phenyl-1,3-oxazole-4-carboxamide (CID 53195178) is 2,5-dimethyl-N-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-phenyl-1,3-oxazole-4-carboxamide is Cc1nc(C(=O)Nc2ccccc2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is SHXSZNQNEJEMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-8-11(13-9(2)16-8)12(15)14-10-6-4-3-5-7-10/h3-7H,1-2H3,(H,14,15).
What are the key properties of 2,5-dimethyl-N-phenyl-1,3-oxazole-4-carboxamide?
2,5-dimethyl-N-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 216.24 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 53195178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).