1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]imidazolidin-2-one

C23H22FN5O2 — CID 118937727

IUPAC1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]imidazolidin-2-one
SMILESCC(C)c1cnc(CN2CCN(c3cccc4c3cnn4-c3ccccc3F)C2=O)o1
InChIInChI=1S/C23H22FN5O2/c1-15(2)21-13-25-22(31-21)14-27-10-11-28(23(27)30)18-8-5-9-19-16(18)12-26-29(19)20-7-4-3-6-17(20)24/h3-9,12-13,15H,10-11,14H2,1-2H3
InChIKeyYVDKMLBOCOFKMZ-UHFFFAOYSA-N
MW419.46 g/mol
LogP4.72
Rot. Bonds5

About 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]imidazolidin-2-one

1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]imidazolidin-2-one (PubChem CID 118937727) has the molecular formula C23H22FN5O2 and a molecular weight of 419.46 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]imidazolidin-2-one
PubChem CID118937727
Molecular FormulaC23H22FN5O2
Molecular Weight419.46 g/mol
Exact Mass419.18
IUPAC Name1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]imidazolidin-2-one
SMILESCC(C)c1cnc(CN2CCN(c3cccc4c3cnn4-c3ccccc3F)C2=O)o1
InChIInChI=1S/C23H22FN5O2/c1-15(2)21-13-25-22(31-21)14-27-10-11-28(23(27)30)18-8-5-9-19-16(18)12-26-29(19)20-7-4-3-6-17(20)24/h3-9,12-13,15H,10-11,14H2,1-2H3
InChIKeyYVDKMLBOCOFKMZ-UHFFFAOYSA-N
XLogP4.72
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]imidazolidin-2-one?
The IUPAC name of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]imidazolidin-2-one (CID 118937727) is 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]imidazolidin-2-one?
The canonical SMILES for 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]imidazolidin-2-one is CC(C)c1cnc(CN2CCN(c3cccc4c3cnn4-c3ccccc3F)C2=O)o1.
What is the InChIKey of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]imidazolidin-2-one?
The InChIKey is YVDKMLBOCOFKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O2/c1-15(2)21-13-25-22(31-21)14-27-10-11-28(23(27)30)18-8-5-9-19-16(18)12-26-29(19)20-7-4-3-6-17(20)24/h3-9,12-13,15H,10-11,14H2,1-2H3.
What are the key properties of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]imidazolidin-2-one?
1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]imidazolidin-2-one has a molecular weight of 419.46 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]imidazolidin-2-one is sourced from PubChem (CID 118937727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).