N-(2,6-dimethylphenyl)-3-methoxy-1,2-oxazole-5-carboxamide

C13H14N2O3 — CID 3073027

IUPACN-(2,6-dimethylphenyl)-3-methoxy-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)Nc2c(C)cccc2C)on1
InChIInChI=1S/C13H14N2O3/c1-8-5-4-6-9(2)12(8)14-13(16)10-7-11(17-3)15-18-10/h4-7H,1-3H3,(H,14,16)
InChIKeyDBGOPMPWDBWPEO-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.55
Rot. Bonds3

About N-(2,6-dimethylphenyl)-3-methoxy-1,2-oxazole-5-carboxamide

N-(2,6-dimethylphenyl)-3-methoxy-1,2-oxazole-5-carboxamide (PubChem CID 3073027) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-3-methoxy-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-3-methoxy-1,2-oxazole-5-carboxamide
PubChem CID3073027
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC NameN-(2,6-dimethylphenyl)-3-methoxy-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)Nc2c(C)cccc2C)on1
InChIInChI=1S/C13H14N2O3/c1-8-5-4-6-9(2)12(8)14-13(16)10-7-11(17-3)15-18-10/h4-7H,1-3H3,(H,14,16)
InChIKeyDBGOPMPWDBWPEO-UHFFFAOYSA-N
XLogP2.55
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-3-methoxy-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-3-methoxy-1,2-oxazole-5-carboxamide (CID 3073027) is N-(2,6-dimethylphenyl)-3-methoxy-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-3-methoxy-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-3-methoxy-1,2-oxazole-5-carboxamide is COc1cc(C(=O)Nc2c(C)cccc2C)on1.
What is the InChIKey of N-(2,6-dimethylphenyl)-3-methoxy-1,2-oxazole-5-carboxamide?
The InChIKey is DBGOPMPWDBWPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-8-5-4-6-9(2)12(8)14-13(16)10-7-11(17-3)15-18-10/h4-7H,1-3H3,(H,14,16).
What are the key properties of N-(2,6-dimethylphenyl)-3-methoxy-1,2-oxazole-5-carboxamide?
N-(2,6-dimethylphenyl)-3-methoxy-1,2-oxazole-5-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-3-methoxy-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 3073027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).