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

C22H20FN5O2 — CID 118937560

IUPAC1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one
SMILESCc1nc(CN2CCN(c3cccc4c3cnn4-c3ccccc3F)C2=O)c(C)o1
InChIInChI=1S/C22H20FN5O2/c1-14-18(25-15(2)30-14)13-26-10-11-27(22(26)29)19-8-5-9-20-16(19)12-24-28(20)21-7-4-3-6-17(21)23/h3-9,12H,10-11,13H2,1-2H3
InChIKeyURIZTXLSHDZISI-UHFFFAOYSA-N
MW405.43 g/mol
LogP4.21
Rot. Bonds4

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

1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one (PubChem CID 118937560) has the molecular formula C22H20FN5O2 and a molecular weight of 405.43 g/mol. Its IUPAC name is 1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one
PubChem CID118937560
Molecular FormulaC22H20FN5O2
Molecular Weight405.43 g/mol
Exact Mass405.16
IUPAC Name1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one
SMILESCc1nc(CN2CCN(c3cccc4c3cnn4-c3ccccc3F)C2=O)c(C)o1
InChIInChI=1S/C22H20FN5O2/c1-14-18(25-15(2)30-14)13-26-10-11-27(22(26)29)19-8-5-9-20-16(19)12-24-28(20)21-7-4-3-6-17(21)23/h3-9,12H,10-11,13H2,1-2H3
InChIKeyURIZTXLSHDZISI-UHFFFAOYSA-N
XLogP4.21
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one (CID 118937560) is 1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one is Cc1nc(CN2CCN(c3cccc4c3cnn4-c3ccccc3F)C2=O)c(C)o1.
What is the InChIKey of 1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one?
The InChIKey is URIZTXLSHDZISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2/c1-14-18(25-15(2)30-14)13-26-10-11-27(22(26)29)19-8-5-9-20-16(19)12-24-28(20)21-7-4-3-6-17(21)23/h3-9,12H,10-11,13H2,1-2H3.
What are the key properties of 1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one?
1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one has a molecular weight of 405.43 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-3-[1-(2-fluorophenyl)indazol-4-yl]imidazolidin-2-one is sourced from PubChem (CID 118937560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).