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

C8H10N2O3 — CID 44604607

IUPAC4-acetyl-N,5-dimethyl-1,2-oxazole-3-carboxamide
SMILESCNC(=O)c1noc(C)c1C(C)=O
InChIInChI=1S/C8H10N2O3/c1-4(11)6-5(2)13-10-7(6)8(12)9-3/h1-3H3,(H,9,12)
InChIKeyTYPPJIZOOBJLQE-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.55
Rot. Bonds2

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

4-acetyl-N,5-dimethyl-1,2-oxazole-3-carboxamide (PubChem CID 44604607) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 4-acetyl-N,5-dimethyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-acetyl-N,5-dimethyl-1,2-oxazole-3-carboxamide
PubChem CID44604607
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name4-acetyl-N,5-dimethyl-1,2-oxazole-3-carboxamide
SMILESCNC(=O)c1noc(C)c1C(C)=O
InChIInChI=1S/C8H10N2O3/c1-4(11)6-5(2)13-10-7(6)8(12)9-3/h1-3H3,(H,9,12)
InChIKeyTYPPJIZOOBJLQE-UHFFFAOYSA-N
XLogP0.55
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N,5-dimethyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-acetyl-N,5-dimethyl-1,2-oxazole-3-carboxamide (CID 44604607) is 4-acetyl-N,5-dimethyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-acetyl-N,5-dimethyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-acetyl-N,5-dimethyl-1,2-oxazole-3-carboxamide is CNC(=O)c1noc(C)c1C(C)=O.
What is the InChIKey of 4-acetyl-N,5-dimethyl-1,2-oxazole-3-carboxamide?
The InChIKey is TYPPJIZOOBJLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-4(11)6-5(2)13-10-7(6)8(12)9-3/h1-3H3,(H,9,12).
What are the key properties of 4-acetyl-N,5-dimethyl-1,2-oxazole-3-carboxamide?
4-acetyl-N,5-dimethyl-1,2-oxazole-3-carboxamide has a molecular weight of 182.18 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N,5-dimethyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 44604607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).