1-[1-(2,4-difluorophenyl)indazol-4-yl]-3-(1,3-oxazol-2-ylmethyl)imidazolidin-2-one

C20H15F2N5O2 — CID 118937617

IUPAC1-[1-(2,4-difluorophenyl)indazol-4-yl]-3-(1,3-oxazol-2-ylmethyl)imidazolidin-2-one
SMILESO=C1N(Cc2ncco2)CCN1c1cccc2c1cnn2-c1ccc(F)cc1F
InChIInChI=1S/C20H15F2N5O2/c21-13-4-5-18(15(22)10-13)27-17-3-1-2-16(14(17)11-24-27)26-8-7-25(20(26)28)12-19-23-6-9-29-19/h1-6,9-11H,7-8,12H2
InChIKeyHBENNPICQBTCGI-UHFFFAOYSA-N
MW395.37 g/mol
LogP3.73
Rot. Bonds4

About 1-[1-(2,4-difluorophenyl)indazol-4-yl]-3-(1,3-oxazol-2-ylmethyl)imidazolidin-2-one

1-[1-(2,4-difluorophenyl)indazol-4-yl]-3-(1,3-oxazol-2-ylmethyl)imidazolidin-2-one (PubChem CID 118937617) has the molecular formula C20H15F2N5O2 and a molecular weight of 395.37 g/mol. Its IUPAC name is 1-[1-(2,4-difluorophenyl)indazol-4-yl]-3-(1,3-oxazol-2-ylmethyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-(2,4-difluorophenyl)indazol-4-yl]-3-(1,3-oxazol-2-ylmethyl)imidazolidin-2-one
PubChem CID118937617
Molecular FormulaC20H15F2N5O2
Molecular Weight395.37 g/mol
Exact Mass395.12
IUPAC Name1-[1-(2,4-difluorophenyl)indazol-4-yl]-3-(1,3-oxazol-2-ylmethyl)imidazolidin-2-one
SMILESO=C1N(Cc2ncco2)CCN1c1cccc2c1cnn2-c1ccc(F)cc1F
InChIInChI=1S/C20H15F2N5O2/c21-13-4-5-18(15(22)10-13)27-17-3-1-2-16(14(17)11-24-27)26-8-7-25(20(26)28)12-19-23-6-9-29-19/h1-6,9-11H,7-8,12H2
InChIKeyHBENNPICQBTCGI-UHFFFAOYSA-N
XLogP3.73
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.37
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-difluorophenyl)indazol-4-yl]-3-(1,3-oxazol-2-ylmethyl)imidazolidin-2-one?
The IUPAC name of 1-[1-(2,4-difluorophenyl)indazol-4-yl]-3-(1,3-oxazol-2-ylmethyl)imidazolidin-2-one (CID 118937617) is 1-[1-(2,4-difluorophenyl)indazol-4-yl]-3-(1,3-oxazol-2-ylmethyl)imidazolidin-2-one.
What is the SMILES notation for 1-[1-(2,4-difluorophenyl)indazol-4-yl]-3-(1,3-oxazol-2-ylmethyl)imidazolidin-2-one?
The canonical SMILES for 1-[1-(2,4-difluorophenyl)indazol-4-yl]-3-(1,3-oxazol-2-ylmethyl)imidazolidin-2-one is O=C1N(Cc2ncco2)CCN1c1cccc2c1cnn2-c1ccc(F)cc1F.
What is the InChIKey of 1-[1-(2,4-difluorophenyl)indazol-4-yl]-3-(1,3-oxazol-2-ylmethyl)imidazolidin-2-one?
The InChIKey is HBENNPICQBTCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N5O2/c21-13-4-5-18(15(22)10-13)27-17-3-1-2-16(14(17)11-24-27)26-8-7-25(20(26)28)12-19-23-6-9-29-19/h1-6,9-11H,7-8,12H2.
What are the key properties of 1-[1-(2,4-difluorophenyl)indazol-4-yl]-3-(1,3-oxazol-2-ylmethyl)imidazolidin-2-one?
1-[1-(2,4-difluorophenyl)indazol-4-yl]-3-(1,3-oxazol-2-ylmethyl)imidazolidin-2-one has a molecular weight of 395.37 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-difluorophenyl)indazol-4-yl]-3-(1,3-oxazol-2-ylmethyl)imidazolidin-2-one is sourced from PubChem (CID 118937617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).