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

C21H18FN5O2 — CID 118937859

IUPAC1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazolidin-2-one
SMILESCc1cnc(CN2CCN(c3cccc4c3cnn4-c3ccccc3F)C2=O)o1
InChIInChI=1S/C21H18FN5O2/c1-14-11-23-20(29-14)13-25-9-10-26(21(25)28)17-7-4-8-18-15(17)12-24-27(18)19-6-3-2-5-16(19)22/h2-8,11-12H,9-10,13H2,1H3
InChIKeyVVPPKPXRFUZSHM-UHFFFAOYSA-N
MW391.41 g/mol
LogP3.90
Rot. Bonds4

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

1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazolidin-2-one (PubChem CID 118937859) has the molecular formula C21H18FN5O2 and a molecular weight of 391.41 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazolidin-2-one
PubChem CID118937859
Molecular FormulaC21H18FN5O2
Molecular Weight391.41 g/mol
Exact Mass391.14
IUPAC Name1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazolidin-2-one
SMILESCc1cnc(CN2CCN(c3cccc4c3cnn4-c3ccccc3F)C2=O)o1
InChIInChI=1S/C21H18FN5O2/c1-14-11-23-20(29-14)13-25-9-10-26(21(25)28)17-7-4-8-18-15(17)12-24-27(18)19-6-3-2-5-16(19)22/h2-8,11-12H,9-10,13H2,1H3
InChIKeyVVPPKPXRFUZSHM-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
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-methyl-1,3-oxazol-2-yl)methyl]imidazolidin-2-one?
The IUPAC name of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazolidin-2-one (CID 118937859) is 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazolidin-2-one?
The canonical SMILES for 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazolidin-2-one is Cc1cnc(CN2CCN(c3cccc4c3cnn4-c3ccccc3F)C2=O)o1.
What is the InChIKey of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazolidin-2-one?
The InChIKey is VVPPKPXRFUZSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O2/c1-14-11-23-20(29-14)13-25-9-10-26(21(25)28)17-7-4-8-18-15(17)12-24-27(18)19-6-3-2-5-16(19)22/h2-8,11-12H,9-10,13H2,1H3.
What are the key properties of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazolidin-2-one?
1-[1-(2-fluorophenyl)indazol-4-yl]-3-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazolidin-2-one has a molecular weight of 391.41 g/mol, XLogP of 3.90, 4 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-methyl-1,3-oxazol-2-yl)methyl]imidazolidin-2-one is sourced from PubChem (CID 118937859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).