N-ethyl-2-[3-[(3-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-methyl-1,3-oxazole-4-carboxamide

C17H19FN4O3 — CID 71728536

IUPACN-ethyl-2-[3-[(3-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-methyl-1,3-oxazole-4-carboxamide
SMILESCCN(C)C(=O)c1coc(N2CCN(Cc3cccc(F)c3)C2=O)n1
InChIInChI=1S/C17H19FN4O3/c1-3-20(2)15(23)14-11-25-16(19-14)22-8-7-21(17(22)24)10-12-5-4-6-13(18)9-12/h4-6,9,11H,3,7-8,10H2,1-2H3
InChIKeyPGKJFVHKDMPFDR-UHFFFAOYSA-N
MW346.36 g/mol
LogP2.35
Rot. Bonds5

About N-ethyl-2-[3-[(3-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-methyl-1,3-oxazole-4-carboxamide

N-ethyl-2-[3-[(3-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-methyl-1,3-oxazole-4-carboxamide (PubChem CID 71728536) has the molecular formula C17H19FN4O3 and a molecular weight of 346.36 g/mol. Its IUPAC name is N-ethyl-2-[3-[(3-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-[3-[(3-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-methyl-1,3-oxazole-4-carboxamide
PubChem CID71728536
Molecular FormulaC17H19FN4O3
Molecular Weight346.36 g/mol
Exact Mass346.14
IUPAC NameN-ethyl-2-[3-[(3-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-methyl-1,3-oxazole-4-carboxamide
SMILESCCN(C)C(=O)c1coc(N2CCN(Cc3cccc(F)c3)C2=O)n1
InChIInChI=1S/C17H19FN4O3/c1-3-20(2)15(23)14-11-25-16(19-14)22-8-7-21(17(22)24)10-12-5-4-6-13(18)9-12/h4-6,9,11H,3,7-8,10H2,1-2H3
InChIKeyPGKJFVHKDMPFDR-UHFFFAOYSA-N
XLogP2.35
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-[(3-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-ethyl-2-[3-[(3-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-methyl-1,3-oxazole-4-carboxamide (CID 71728536) is N-ethyl-2-[3-[(3-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-ethyl-2-[3-[(3-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-ethyl-2-[3-[(3-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-methyl-1,3-oxazole-4-carboxamide is CCN(C)C(=O)c1coc(N2CCN(Cc3cccc(F)c3)C2=O)n1.
What is the InChIKey of N-ethyl-2-[3-[(3-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is PGKJFVHKDMPFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O3/c1-3-20(2)15(23)14-11-25-16(19-14)22-8-7-21(17(22)24)10-12-5-4-6-13(18)9-12/h4-6,9,11H,3,7-8,10H2,1-2H3.
What are the key properties of N-ethyl-2-[3-[(3-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-methyl-1,3-oxazole-4-carboxamide?
N-ethyl-2-[3-[(3-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 346.36 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-[(3-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 71728536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).