N-[(3,4-difluorophenyl)methyl]-2-[2-oxo-3-(2-phenylethyl)imidazolidin-1-yl]-1,3-oxazole-5-carboxamide

C22H20F2N4O3 — CID 71728822

IUPACN-[(3,4-difluorophenyl)methyl]-2-[2-oxo-3-(2-phenylethyl)imidazolidin-1-yl]-1,3-oxazole-5-carboxamide
SMILESO=C(NCc1ccc(F)c(F)c1)c1cnc(N2CCN(CCc3ccccc3)C2=O)o1
InChIInChI=1S/C22H20F2N4O3/c23-17-7-6-16(12-18(17)24)13-25-20(29)19-14-26-21(31-19)28-11-10-27(22(28)30)9-8-15-4-2-1-3-5-15/h1-7,12,14H,8-11,13H2,(H,25,29)
InChIKeyFYTFSDZMYJFQNJ-UHFFFAOYSA-N
MW426.42 g/mol
LogP3.37
Rot. Bonds7

About N-[(3,4-difluorophenyl)methyl]-2-[2-oxo-3-(2-phenylethyl)imidazolidin-1-yl]-1,3-oxazole-5-carboxamide

N-[(3,4-difluorophenyl)methyl]-2-[2-oxo-3-(2-phenylethyl)imidazolidin-1-yl]-1,3-oxazole-5-carboxamide (PubChem CID 71728822) has the molecular formula C22H20F2N4O3 and a molecular weight of 426.42 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-2-[2-oxo-3-(2-phenylethyl)imidazolidin-1-yl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-2-[2-oxo-3-(2-phenylethyl)imidazolidin-1-yl]-1,3-oxazole-5-carboxamide
PubChem CID71728822
Molecular FormulaC22H20F2N4O3
Molecular Weight426.42 g/mol
Exact Mass426.15
IUPAC NameN-[(3,4-difluorophenyl)methyl]-2-[2-oxo-3-(2-phenylethyl)imidazolidin-1-yl]-1,3-oxazole-5-carboxamide
SMILESO=C(NCc1ccc(F)c(F)c1)c1cnc(N2CCN(CCc3ccccc3)C2=O)o1
InChIInChI=1S/C22H20F2N4O3/c23-17-7-6-16(12-18(17)24)13-25-20(29)19-14-26-21(31-19)28-11-10-27(22(28)30)9-8-15-4-2-1-3-5-15/h1-7,12,14H,8-11,13H2,(H,25,29)
InChIKeyFYTFSDZMYJFQNJ-UHFFFAOYSA-N
XLogP3.37
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.42
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-2-[2-oxo-3-(2-phenylethyl)imidazolidin-1-yl]-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-2-[2-oxo-3-(2-phenylethyl)imidazolidin-1-yl]-1,3-oxazole-5-carboxamide (CID 71728822) is N-[(3,4-difluorophenyl)methyl]-2-[2-oxo-3-(2-phenylethyl)imidazolidin-1-yl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-2-[2-oxo-3-(2-phenylethyl)imidazolidin-1-yl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-2-[2-oxo-3-(2-phenylethyl)imidazolidin-1-yl]-1,3-oxazole-5-carboxamide is O=C(NCc1ccc(F)c(F)c1)c1cnc(N2CCN(CCc3ccccc3)C2=O)o1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-2-[2-oxo-3-(2-phenylethyl)imidazolidin-1-yl]-1,3-oxazole-5-carboxamide?
The InChIKey is FYTFSDZMYJFQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4O3/c23-17-7-6-16(12-18(17)24)13-25-20(29)19-14-26-21(31-19)28-11-10-27(22(28)30)9-8-15-4-2-1-3-5-15/h1-7,12,14H,8-11,13H2,(H,25,29).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-2-[2-oxo-3-(2-phenylethyl)imidazolidin-1-yl]-1,3-oxazole-5-carboxamide?
N-[(3,4-difluorophenyl)methyl]-2-[2-oxo-3-(2-phenylethyl)imidazolidin-1-yl]-1,3-oxazole-5-carboxamide has a molecular weight of 426.42 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-2-[2-oxo-3-(2-phenylethyl)imidazolidin-1-yl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 71728822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).