5-methyl-N-(5-methyl-3-oxocyclohexen-1-yl)-1,2-oxazole-3-carboxamide

C12H14N2O3 — CID 57400958

IUPAC5-methyl-N-(5-methyl-3-oxocyclohexen-1-yl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC2=CC(=O)CC(C)C2)no1
InChIInChI=1S/C12H14N2O3/c1-7-3-9(6-10(15)4-7)13-12(16)11-5-8(2)17-14-11/h5-7H,3-4H2,1-2H3,(H,13,16)
InChIKeyDZUZEIWSNBLHOB-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.60
Rot. Bonds2

About 5-methyl-N-(5-methyl-3-oxocyclohexen-1-yl)-1,2-oxazole-3-carboxamide

5-methyl-N-(5-methyl-3-oxocyclohexen-1-yl)-1,2-oxazole-3-carboxamide (PubChem CID 57400958) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 5-methyl-N-(5-methyl-3-oxocyclohexen-1-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(5-methyl-3-oxocyclohexen-1-yl)-1,2-oxazole-3-carboxamide
PubChem CID57400958
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name5-methyl-N-(5-methyl-3-oxocyclohexen-1-yl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC2=CC(=O)CC(C)C2)no1
InChIInChI=1S/C12H14N2O3/c1-7-3-9(6-10(15)4-7)13-12(16)11-5-8(2)17-14-11/h5-7H,3-4H2,1-2H3,(H,13,16)
InChIKeyDZUZEIWSNBLHOB-UHFFFAOYSA-N
XLogP1.60
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(5-methyl-3-oxocyclohexen-1-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(5-methyl-3-oxocyclohexen-1-yl)-1,2-oxazole-3-carboxamide (CID 57400958) is 5-methyl-N-(5-methyl-3-oxocyclohexen-1-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(5-methyl-3-oxocyclohexen-1-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(5-methyl-3-oxocyclohexen-1-yl)-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NC2=CC(=O)CC(C)C2)no1.
What is the InChIKey of 5-methyl-N-(5-methyl-3-oxocyclohexen-1-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is DZUZEIWSNBLHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-7-3-9(6-10(15)4-7)13-12(16)11-5-8(2)17-14-11/h5-7H,3-4H2,1-2H3,(H,13,16).
What are the key properties of 5-methyl-N-(5-methyl-3-oxocyclohexen-1-yl)-1,2-oxazole-3-carboxamide?
5-methyl-N-(5-methyl-3-oxocyclohexen-1-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 234.25 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(5-methyl-3-oxocyclohexen-1-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 57400958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).