N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-5-methyl-1,2-oxazole-3-carboxamide

C17H20N4O4 — CID 24979895

IUPACN-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-5-methyl-1,2-oxazole-3-carboxamide
SMILESCCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1cc(C)on1
InChIInChI=1S/C17H20N4O4/c1-4-21(17(24)15-9-11(2)25-20-15)10-16(23)19-14-7-5-13(6-8-14)18-12(3)22/h5-9H,4,10H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyQYKUOABWBQNHBL-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.04
Rot. Bonds6

About N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-5-methyl-1,2-oxazole-3-carboxamide

N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 24979895) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID24979895
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC NameN-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-5-methyl-1,2-oxazole-3-carboxamide
SMILESCCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1cc(C)on1
InChIInChI=1S/C17H20N4O4/c1-4-21(17(24)15-9-11(2)25-20-15)10-16(23)19-14-7-5-13(6-8-14)18-12(3)22/h5-9H,4,10H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyQYKUOABWBQNHBL-UHFFFAOYSA-N
XLogP2.04
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-5-methyl-1,2-oxazole-3-carboxamide (CID 24979895) is N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-5-methyl-1,2-oxazole-3-carboxamide is CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1cc(C)on1.
What is the InChIKey of N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is QYKUOABWBQNHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-4-21(17(24)15-9-11(2)25-20-15)10-16(23)19-14-7-5-13(6-8-14)18-12(3)22/h5-9H,4,10H2,1-3H3,(H,18,22)(H,19,23).
What are the key properties of N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-5-methyl-1,2-oxazole-3-carboxamide?
N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24979895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).