3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(4-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one

C15H14FN3O3 — CID 91038546

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(4-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one
SMILESCc1noc(C)c1-n1c(O)c(Cc2ccc(F)cc2)[nH]c1=O
InChIInChI=1S/C15H14FN3O3/c1-8-13(9(2)22-18-8)19-14(20)12(17-15(19)21)7-10-3-5-11(16)6-4-10/h3-6,20H,7H2,1-2H3,(H,17,21)
InChIKeySVPSNBQHWVIREO-UHFFFAOYSA-N
MW303.29 g/mol
LogP2.21
Rot. Bonds3

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(4-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one

3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(4-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one (PubChem CID 91038546) has the molecular formula C15H14FN3O3 and a molecular weight of 303.29 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(4-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(4-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one
PubChem CID91038546
Molecular FormulaC15H14FN3O3
Molecular Weight303.29 g/mol
Exact Mass303.10
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(4-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one
SMILESCc1noc(C)c1-n1c(O)c(Cc2ccc(F)cc2)[nH]c1=O
InChIInChI=1S/C15H14FN3O3/c1-8-13(9(2)22-18-8)19-14(20)12(17-15(19)21)7-10-3-5-11(16)6-4-10/h3-6,20H,7H2,1-2H3,(H,17,21)
InChIKeySVPSNBQHWVIREO-UHFFFAOYSA-N
XLogP2.21
TPSA84.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(4-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(4-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one (CID 91038546) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(4-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(4-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(4-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one is Cc1noc(C)c1-n1c(O)c(Cc2ccc(F)cc2)[nH]c1=O.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(4-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one?
The InChIKey is SVPSNBQHWVIREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O3/c1-8-13(9(2)22-18-8)19-14(20)12(17-15(19)21)7-10-3-5-11(16)6-4-10/h3-6,20H,7H2,1-2H3,(H,17,21).
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(4-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(4-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one has a molecular weight of 303.29 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(4-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one is sourced from PubChem (CID 91038546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).