4-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one

C14H11F3N4O2 — CID 2962149

IUPAC4-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one
SMILESCc1cc(NC2(C(F)(F)F)N=C(c3ccccc3)NC2=O)no1
InChIInChI=1S/C14H11F3N4O2/c1-8-7-10(21-23-8)19-13(14(15,16)17)12(22)18-11(20-13)9-5-3-2-4-6-9/h2-7H,1H3,(H,19,21)(H,18,20,22)
InChIKeyMVAFKBZHAUFYDN-UHFFFAOYSA-N
MW324.26 g/mol
LogP2.23
Rot. Bonds3

About 4-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one

4-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one (PubChem CID 2962149) has the molecular formula C14H11F3N4O2 and a molecular weight of 324.26 g/mol. Its IUPAC name is 4-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one.

Molecular Properties

Compound Name4-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one
PubChem CID2962149
Molecular FormulaC14H11F3N4O2
Molecular Weight324.26 g/mol
Exact Mass324.08
IUPAC Name4-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one
SMILESCc1cc(NC2(C(F)(F)F)N=C(c3ccccc3)NC2=O)no1
InChIInChI=1S/C14H11F3N4O2/c1-8-7-10(21-23-8)19-13(14(15,16)17)12(22)18-11(20-13)9-5-3-2-4-6-9/h2-7H,1H3,(H,19,21)(H,18,20,22)
InChIKeyMVAFKBZHAUFYDN-UHFFFAOYSA-N
XLogP2.23
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one?
The IUPAC name of 4-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one (CID 2962149) is 4-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one.
What is the SMILES notation for 4-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one?
The canonical SMILES for 4-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one is Cc1cc(NC2(C(F)(F)F)N=C(c3ccccc3)NC2=O)no1.
What is the InChIKey of 4-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one?
The InChIKey is MVAFKBZHAUFYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4O2/c1-8-7-10(21-23-8)19-13(14(15,16)17)12(22)18-11(20-13)9-5-3-2-4-6-9/h2-7H,1H3,(H,19,21)(H,18,20,22).
What are the key properties of 4-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one?
4-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one has a molecular weight of 324.26 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenyl-4-(trifluoromethyl)-1H-imidazol-5-one is sourced from PubChem (CID 2962149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).