1-[4-[3-(3-bromo-1,2-oxazol-5-yl)propanoyl]-2-pyridinyl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one

C21H18BrFN4O3 — CID 58247820

IUPAC1-[4-[3-(3-bromo-1,2-oxazol-5-yl)propanoyl]-2-pyridinyl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one
SMILESO=C(CCc1cc(Br)no1)c1ccnc(N2CCN(Cc3ccc(F)cc3)C2=O)c1
InChIInChI=1S/C21H18BrFN4O3/c22-19-12-17(30-25-19)5-6-18(28)15-7-8-24-20(11-15)27-10-9-26(21(27)29)13-14-1-3-16(23)4-2-14/h1-4,7-8,11-12H,5-6,9-10,13H2
InChIKeyJGHGHUGKEZLRBY-UHFFFAOYSA-N
MW473.30 g/mol
LogP4.23
Rot. Bonds7

About 1-[4-[3-(3-bromo-1,2-oxazol-5-yl)propanoyl]-2-pyridinyl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one

1-[4-[3-(3-bromo-1,2-oxazol-5-yl)propanoyl]-2-pyridinyl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one (PubChem CID 58247820) has the molecular formula C21H18BrFN4O3 and a molecular weight of 473.30 g/mol. Its IUPAC name is 1-[4-[3-(3-bromo-1,2-oxazol-5-yl)propanoyl]-2-pyridinyl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-[3-(3-bromo-1,2-oxazol-5-yl)propanoyl]-2-pyridinyl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one
PubChem CID58247820
Molecular FormulaC21H18BrFN4O3
Molecular Weight473.30 g/mol
Exact Mass472.05
IUPAC Name1-[4-[3-(3-bromo-1,2-oxazol-5-yl)propanoyl]-2-pyridinyl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one
SMILESO=C(CCc1cc(Br)no1)c1ccnc(N2CCN(Cc3ccc(F)cc3)C2=O)c1
InChIInChI=1S/C21H18BrFN4O3/c22-19-12-17(30-25-19)5-6-18(28)15-7-8-24-20(11-15)27-10-9-26(21(27)29)13-14-1-3-16(23)4-2-14/h1-4,7-8,11-12H,5-6,9-10,13H2
InChIKeyJGHGHUGKEZLRBY-UHFFFAOYSA-N
XLogP4.23
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.30
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(3-bromo-1,2-oxazol-5-yl)propanoyl]-2-pyridinyl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one?
The IUPAC name of 1-[4-[3-(3-bromo-1,2-oxazol-5-yl)propanoyl]-2-pyridinyl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one (CID 58247820) is 1-[4-[3-(3-bromo-1,2-oxazol-5-yl)propanoyl]-2-pyridinyl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one.
What is the SMILES notation for 1-[4-[3-(3-bromo-1,2-oxazol-5-yl)propanoyl]-2-pyridinyl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one?
The canonical SMILES for 1-[4-[3-(3-bromo-1,2-oxazol-5-yl)propanoyl]-2-pyridinyl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one is O=C(CCc1cc(Br)no1)c1ccnc(N2CCN(Cc3ccc(F)cc3)C2=O)c1.
What is the InChIKey of 1-[4-[3-(3-bromo-1,2-oxazol-5-yl)propanoyl]-2-pyridinyl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one?
The InChIKey is JGHGHUGKEZLRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrFN4O3/c22-19-12-17(30-25-19)5-6-18(28)15-7-8-24-20(11-15)27-10-9-26(21(27)29)13-14-1-3-16(23)4-2-14/h1-4,7-8,11-12H,5-6,9-10,13H2.
What are the key properties of 1-[4-[3-(3-bromo-1,2-oxazol-5-yl)propanoyl]-2-pyridinyl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one?
1-[4-[3-(3-bromo-1,2-oxazol-5-yl)propanoyl]-2-pyridinyl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one has a molecular weight of 473.30 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(3-bromo-1,2-oxazol-5-yl)propanoyl]-2-pyridinyl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one is sourced from PubChem (CID 58247820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).