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

C21H18FN5O2 — CID 118937647

IUPAC(4R)-1-[1-(2-fluorophenyl)indazol-4-yl]-4-methyl-3-(1,3-oxazol-2-ylmethyl)imidazolidin-2-one
SMILESC[C@@H]1CN(c2cccc3c2cnn3-c2ccccc2F)C(=O)N1Cc1ncco1
InChIInChI=1S/C21H18FN5O2/c1-14-12-26(21(28)25(14)13-20-23-9-10-29-20)17-7-4-8-18-15(17)11-24-27(18)19-6-3-2-5-16(19)22/h2-11,14H,12-13H2,1H3/t14-/m1/s1
InChIKeyXUWNSDAZMMRVTO-CQSZACIVSA-N
MW391.41 g/mol
LogP3.98
Rot. Bonds4

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

(4R)-1-[1-(2-fluorophenyl)indazol-4-yl]-4-methyl-3-(1,3-oxazol-2-ylmethyl)imidazolidin-2-one (PubChem CID 118937647) has the molecular formula C21H18FN5O2 and a molecular weight of 391.41 g/mol. Its IUPAC name is (4R)-1-[1-(2-fluorophenyl)indazol-4-yl]-4-methyl-3-(1,3-oxazol-2-ylmethyl)imidazolidin-2-one.

Molecular Properties

Compound Name(4R)-1-[1-(2-fluorophenyl)indazol-4-yl]-4-methyl-3-(1,3-oxazol-2-ylmethyl)imidazolidin-2-one
PubChem CID118937647
Molecular FormulaC21H18FN5O2
Molecular Weight391.41 g/mol
Exact Mass391.14
IUPAC Name(4R)-1-[1-(2-fluorophenyl)indazol-4-yl]-4-methyl-3-(1,3-oxazol-2-ylmethyl)imidazolidin-2-one
SMILESC[C@@H]1CN(c2cccc3c2cnn3-c2ccccc2F)C(=O)N1Cc1ncco1
InChIInChI=1S/C21H18FN5O2/c1-14-12-26(21(28)25(14)13-20-23-9-10-29-20)17-7-4-8-18-15(17)11-24-27(18)19-6-3-2-5-16(19)22/h2-11,14H,12-13H2,1H3/t14-/m1/s1
InChIKeyXUWNSDAZMMRVTO-CQSZACIVSA-N
XLogP3.98
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-[1-(2-fluorophenyl)indazol-4-yl]-4-methyl-3-(1,3-oxazol-2-ylmethyl)imidazolidin-2-one?
The IUPAC name of (4R)-1-[1-(2-fluorophenyl)indazol-4-yl]-4-methyl-3-(1,3-oxazol-2-ylmethyl)imidazolidin-2-one (CID 118937647) is (4R)-1-[1-(2-fluorophenyl)indazol-4-yl]-4-methyl-3-(1,3-oxazol-2-ylmethyl)imidazolidin-2-one.
What is the SMILES notation for (4R)-1-[1-(2-fluorophenyl)indazol-4-yl]-4-methyl-3-(1,3-oxazol-2-ylmethyl)imidazolidin-2-one?
The canonical SMILES for (4R)-1-[1-(2-fluorophenyl)indazol-4-yl]-4-methyl-3-(1,3-oxazol-2-ylmethyl)imidazolidin-2-one is C[C@@H]1CN(c2cccc3c2cnn3-c2ccccc2F)C(=O)N1Cc1ncco1.
What is the InChIKey of (4R)-1-[1-(2-fluorophenyl)indazol-4-yl]-4-methyl-3-(1,3-oxazol-2-ylmethyl)imidazolidin-2-one?
The InChIKey is XUWNSDAZMMRVTO-CQSZACIVSA-N. The full InChI is InChI=1S/C21H18FN5O2/c1-14-12-26(21(28)25(14)13-20-23-9-10-29-20)17-7-4-8-18-15(17)11-24-27(18)19-6-3-2-5-16(19)22/h2-11,14H,12-13H2,1H3/t14-/m1/s1.
What are the key properties of (4R)-1-[1-(2-fluorophenyl)indazol-4-yl]-4-methyl-3-(1,3-oxazol-2-ylmethyl)imidazolidin-2-one?
(4R)-1-[1-(2-fluorophenyl)indazol-4-yl]-4-methyl-3-(1,3-oxazol-2-ylmethyl)imidazolidin-2-one has a molecular weight of 391.41 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-[1-(2-fluorophenyl)indazol-4-yl]-4-methyl-3-(1,3-oxazol-2-ylmethyl)imidazolidin-2-one is sourced from PubChem (CID 118937647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).