[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 3-(4-fluorophenyl)imidazole-4-carboxylate

C18H17FN4O4 — CID 18100976

IUPAC[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 3-(4-fluorophenyl)imidazole-4-carboxylate
SMILESCCC(OC(=O)c1cncn1-c1ccc(F)cc1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C18H17FN4O4/c1-3-15(17(24)21-16-8-11(2)27-22-16)26-18(25)14-9-20-10-23(14)13-6-4-12(19)5-7-13/h4-10,15H,3H2,1-2H3,(H,21,22,24)
InChIKeyUEJQFSRNUYKGNO-UHFFFAOYSA-N
MW372.36 g/mol
LogP2.88
Rot. Bonds6

About [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 3-(4-fluorophenyl)imidazole-4-carboxylate

[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 3-(4-fluorophenyl)imidazole-4-carboxylate (PubChem CID 18100976) has the molecular formula C18H17FN4O4 and a molecular weight of 372.36 g/mol. Its IUPAC name is [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 3-(4-fluorophenyl)imidazole-4-carboxylate.

Molecular Properties

Compound Name[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 3-(4-fluorophenyl)imidazole-4-carboxylate
PubChem CID18100976
Molecular FormulaC18H17FN4O4
Molecular Weight372.36 g/mol
Exact Mass372.12
IUPAC Name[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 3-(4-fluorophenyl)imidazole-4-carboxylate
SMILESCCC(OC(=O)c1cncn1-c1ccc(F)cc1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C18H17FN4O4/c1-3-15(17(24)21-16-8-11(2)27-22-16)26-18(25)14-9-20-10-23(14)13-6-4-12(19)5-7-13/h4-10,15H,3H2,1-2H3,(H,21,22,24)
InChIKeyUEJQFSRNUYKGNO-UHFFFAOYSA-N
XLogP2.88
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 3-(4-fluorophenyl)imidazole-4-carboxylate with MolForge

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Related Compounds

[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 4-(1,2,4-triazol-1-yl)benzoate
CID 18100862
[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 4-hydroxybenzoate
CID 41037165
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 5-bromopyridine-3-carboxylate
CID 17397365
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-(difluoromethoxy)benzoate
CID 18100896
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2,5-dimethylbenzoate
CID 41037166
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 3-iodobenzoate
CID 46644211
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-(methylamino)benzoate
CID 16572251
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 42922351
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 4,6-dimethyl-1H-indole-2-carboxylate
CID 43036169
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 3H-benzimidazole-5-carboxylate
CID 23745074
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2,3-dihydro-1H-indene-5-carboxylate
CID 46644356
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 18100915

Frequently Asked Questions

What is the IUPAC name of [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 3-(4-fluorophenyl)imidazole-4-carboxylate?
The IUPAC name of [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 3-(4-fluorophenyl)imidazole-4-carboxylate (CID 18100976) is [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 3-(4-fluorophenyl)imidazole-4-carboxylate.
What is the SMILES notation for [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 3-(4-fluorophenyl)imidazole-4-carboxylate?
The canonical SMILES for [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 3-(4-fluorophenyl)imidazole-4-carboxylate is CCC(OC(=O)c1cncn1-c1ccc(F)cc1)C(=O)Nc1cc(C)on1.
What is the InChIKey of [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 3-(4-fluorophenyl)imidazole-4-carboxylate?
The InChIKey is UEJQFSRNUYKGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O4/c1-3-15(17(24)21-16-8-11(2)27-22-16)26-18(25)14-9-20-10-23(14)13-6-4-12(19)5-7-13/h4-10,15H,3H2,1-2H3,(H,21,22,24).
What are the key properties of [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 3-(4-fluorophenyl)imidazole-4-carboxylate?
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 3-(4-fluorophenyl)imidazole-4-carboxylate has a molecular weight of 372.36 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 3-(4-fluorophenyl)imidazole-4-carboxylate is sourced from PubChem (CID 18100976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).