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

C8H11N3O3 — CID 82399128

IUPAC5-acetyl-4-amino-N,N-dimethyl-1,2-oxazole-3-carboxamide
SMILESCC(=O)c1onc(C(=O)N(C)C)c1N
InChIInChI=1S/C8H11N3O3/c1-4(12)7-5(9)6(10-14-7)8(13)11(2)3/h9H2,1-3H3
InChIKeyBEYRKIIDZZAJNV-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.16
Rot. Bonds2

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

5-acetyl-4-amino-N,N-dimethyl-1,2-oxazole-3-carboxamide (PubChem CID 82399128) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 5-acetyl-4-amino-N,N-dimethyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-4-amino-N,N-dimethyl-1,2-oxazole-3-carboxamide
PubChem CID82399128
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name5-acetyl-4-amino-N,N-dimethyl-1,2-oxazole-3-carboxamide
SMILESCC(=O)c1onc(C(=O)N(C)C)c1N
InChIInChI=1S/C8H11N3O3/c1-4(12)7-5(9)6(10-14-7)8(13)11(2)3/h9H2,1-3H3
InChIKeyBEYRKIIDZZAJNV-UHFFFAOYSA-N
XLogP0.16
TPSA89.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-amino-N,N-dimethyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-acetyl-4-amino-N,N-dimethyl-1,2-oxazole-3-carboxamide (CID 82399128) is 5-acetyl-4-amino-N,N-dimethyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-acetyl-4-amino-N,N-dimethyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-acetyl-4-amino-N,N-dimethyl-1,2-oxazole-3-carboxamide is CC(=O)c1onc(C(=O)N(C)C)c1N.
What is the InChIKey of 5-acetyl-4-amino-N,N-dimethyl-1,2-oxazole-3-carboxamide?
The InChIKey is BEYRKIIDZZAJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-4(12)7-5(9)6(10-14-7)8(13)11(2)3/h9H2,1-3H3.
What are the key properties of 5-acetyl-4-amino-N,N-dimethyl-1,2-oxazole-3-carboxamide?
5-acetyl-4-amino-N,N-dimethyl-1,2-oxazole-3-carboxamide has a molecular weight of 197.19 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-amino-N,N-dimethyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 82399128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).