3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole

C18H16FN3O — CID 54333907

IUPAC3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole
SMILESFc1cccc(C2CC(c3ccc(C4=NCCN4)cc3)=NO2)c1
InChIInChI=1S/C18H16FN3O/c19-15-3-1-2-14(10-15)17-11-16(22-23-17)12-4-6-13(7-5-12)18-20-8-9-21-18/h1-7,10,17H,8-9,11H2,(H,20,21)
InChIKeyTUCHYKVQOZTLPS-UHFFFAOYSA-N
MW309.34 g/mol
LogP3.04
Rot. Bonds3

About 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole

3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole (PubChem CID 54333907) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole
PubChem CID54333907
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC Name3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole
SMILESFc1cccc(C2CC(c3ccc(C4=NCCN4)cc3)=NO2)c1
InChIInChI=1S/C18H16FN3O/c19-15-3-1-2-14(10-15)17-11-16(22-23-17)12-4-6-13(7-5-12)18-20-8-9-21-18/h1-7,10,17H,8-9,11H2,(H,20,21)
InChIKeyTUCHYKVQOZTLPS-UHFFFAOYSA-N
XLogP3.04
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole (CID 54333907) is 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole is Fc1cccc(C2CC(c3ccc(C4=NCCN4)cc3)=NO2)c1.
What is the InChIKey of 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is TUCHYKVQOZTLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c19-15-3-1-2-14(10-15)17-11-16(22-23-17)12-4-6-13(7-5-12)18-20-8-9-21-18/h1-7,10,17H,8-9,11H2,(H,20,21).
What are the key properties of 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole?
3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 309.34 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 54333907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).