3-(4-fluorophenyl)-2-methylsulfanyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazole-4-carboxamide

C19H15FN4O2S2 — CID 24645057

IUPAC3-(4-fluorophenyl)-2-methylsulfanyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazole-4-carboxamide
SMILESCSc1ncc(C(=O)NCc2coc(-c3cccs3)n2)n1-c1ccc(F)cc1
InChIInChI=1S/C19H15FN4O2S2/c1-27-19-22-10-15(24(19)14-6-4-12(20)5-7-14)17(25)21-9-13-11-26-18(23-13)16-3-2-8-28-16/h2-8,10-11H,9H2,1H3,(H,21,25)
InChIKeyRNICTAVLDPAZLL-UHFFFAOYSA-N
MW414.49 g/mol
LogP4.38
Rot. Bonds6

About 3-(4-fluorophenyl)-2-methylsulfanyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazole-4-carboxamide

3-(4-fluorophenyl)-2-methylsulfanyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazole-4-carboxamide (PubChem CID 24645057) has the molecular formula C19H15FN4O2S2 and a molecular weight of 414.49 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-methylsulfanyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-methylsulfanyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazole-4-carboxamide
PubChem CID24645057
Molecular FormulaC19H15FN4O2S2
Molecular Weight414.49 g/mol
Exact Mass414.06
IUPAC Name3-(4-fluorophenyl)-2-methylsulfanyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazole-4-carboxamide
SMILESCSc1ncc(C(=O)NCc2coc(-c3cccs3)n2)n1-c1ccc(F)cc1
InChIInChI=1S/C19H15FN4O2S2/c1-27-19-22-10-15(24(19)14-6-4-12(20)5-7-14)17(25)21-9-13-11-26-18(23-13)16-3-2-8-28-16/h2-8,10-11H,9H2,1H3,(H,21,25)
InChIKeyRNICTAVLDPAZLL-UHFFFAOYSA-N
XLogP4.38
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-methylsulfanyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazole-4-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-2-methylsulfanyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazole-4-carboxamide (CID 24645057) is 3-(4-fluorophenyl)-2-methylsulfanyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazole-4-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-2-methylsulfanyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazole-4-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-2-methylsulfanyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazole-4-carboxamide is CSc1ncc(C(=O)NCc2coc(-c3cccs3)n2)n1-c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-2-methylsulfanyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazole-4-carboxamide?
The InChIKey is RNICTAVLDPAZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O2S2/c1-27-19-22-10-15(24(19)14-6-4-12(20)5-7-14)17(25)21-9-13-11-26-18(23-13)16-3-2-8-28-16/h2-8,10-11H,9H2,1H3,(H,21,25).
What are the key properties of 3-(4-fluorophenyl)-2-methylsulfanyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazole-4-carboxamide?
3-(4-fluorophenyl)-2-methylsulfanyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazole-4-carboxamide has a molecular weight of 414.49 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-methylsulfanyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazole-4-carboxamide is sourced from PubChem (CID 24645057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).