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

C20H15F2N5O2 — CID 118937529

IUPAC1-[1-(2,4-difluorophenyl)indazol-4-yl]-3-(1,3-oxazol-4-ylmethyl)imidazolidin-2-one
SMILESO=C1N(Cc2cocn2)CCN1c1cccc2c1cnn2-c1ccc(F)cc1F
InChIInChI=1S/C20H15F2N5O2/c21-13-4-5-19(16(22)8-13)27-18-3-1-2-17(15(18)9-24-27)26-7-6-25(20(26)28)10-14-11-29-12-23-14/h1-5,8-9,11-12H,6-7,10H2
InChIKeyJYQHRPHJCGJKPU-UHFFFAOYSA-N
MW395.37 g/mol
LogP3.73
Rot. Bonds4

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

1-[1-(2,4-difluorophenyl)indazol-4-yl]-3-(1,3-oxazol-4-ylmethyl)imidazolidin-2-one (PubChem CID 118937529) 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-4-ylmethyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-(2,4-difluorophenyl)indazol-4-yl]-3-(1,3-oxazol-4-ylmethyl)imidazolidin-2-one
PubChem CID118937529
Molecular FormulaC20H15F2N5O2
Molecular Weight395.37 g/mol
Exact Mass395.12
IUPAC Name1-[1-(2,4-difluorophenyl)indazol-4-yl]-3-(1,3-oxazol-4-ylmethyl)imidazolidin-2-one
SMILESO=C1N(Cc2cocn2)CCN1c1cccc2c1cnn2-c1ccc(F)cc1F
InChIInChI=1S/C20H15F2N5O2/c21-13-4-5-19(16(22)8-13)27-18-3-1-2-17(15(18)9-24-27)26-7-6-25(20(26)28)10-14-11-29-12-23-14/h1-5,8-9,11-12H,6-7,10H2
InChIKeyJYQHRPHJCGJKPU-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-4-ylmethyl)imidazolidin-2-one?
The IUPAC name of 1-[1-(2,4-difluorophenyl)indazol-4-yl]-3-(1,3-oxazol-4-ylmethyl)imidazolidin-2-one (CID 118937529) is 1-[1-(2,4-difluorophenyl)indazol-4-yl]-3-(1,3-oxazol-4-ylmethyl)imidazolidin-2-one.
What is the SMILES notation for 1-[1-(2,4-difluorophenyl)indazol-4-yl]-3-(1,3-oxazol-4-ylmethyl)imidazolidin-2-one?
The canonical SMILES for 1-[1-(2,4-difluorophenyl)indazol-4-yl]-3-(1,3-oxazol-4-ylmethyl)imidazolidin-2-one is O=C1N(Cc2cocn2)CCN1c1cccc2c1cnn2-c1ccc(F)cc1F.
What is the InChIKey of 1-[1-(2,4-difluorophenyl)indazol-4-yl]-3-(1,3-oxazol-4-ylmethyl)imidazolidin-2-one?
The InChIKey is JYQHRPHJCGJKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N5O2/c21-13-4-5-19(16(22)8-13)27-18-3-1-2-17(15(18)9-24-27)26-7-6-25(20(26)28)10-14-11-29-12-23-14/h1-5,8-9,11-12H,6-7,10H2.
What are the key properties of 1-[1-(2,4-difluorophenyl)indazol-4-yl]-3-(1,3-oxazol-4-ylmethyl)imidazolidin-2-one?
1-[1-(2,4-difluorophenyl)indazol-4-yl]-3-(1,3-oxazol-4-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-4-ylmethyl)imidazolidin-2-one is sourced from PubChem (CID 118937529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).