N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide

C17H17FN4O2S — CID 87043604

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide
SMILESCSc1ncc(C(=O)NCc2nc(C)c(C)o2)n1-c1ccc(F)cc1
InChIInChI=1S/C17H17FN4O2S/c1-10-11(2)24-15(21-10)9-19-16(23)14-8-20-17(25-3)22(14)13-6-4-12(18)5-7-13/h4-8H,9H2,1-3H3,(H,19,23)
InChIKeyGIXNZYCCHVHLJE-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.27
Rot. Bonds5

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide (PubChem CID 87043604) has the molecular formula C17H17FN4O2S and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide
PubChem CID87043604
Molecular FormulaC17H17FN4O2S
Molecular Weight360.41 g/mol
Exact Mass360.11
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide
SMILESCSc1ncc(C(=O)NCc2nc(C)c(C)o2)n1-c1ccc(F)cc1
InChIInChI=1S/C17H17FN4O2S/c1-10-11(2)24-15(21-10)9-19-16(23)14-8-20-17(25-3)22(14)13-6-4-12(18)5-7-13/h4-8H,9H2,1-3H3,(H,19,23)
InChIKeyGIXNZYCCHVHLJE-UHFFFAOYSA-N
XLogP3.27
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide (CID 87043604) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide is CSc1ncc(C(=O)NCc2nc(C)c(C)o2)n1-c1ccc(F)cc1.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide?
The InChIKey is GIXNZYCCHVHLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2S/c1-10-11(2)24-15(21-10)9-19-16(23)14-8-20-17(25-3)22(14)13-6-4-12(18)5-7-13/h4-8H,9H2,1-3H3,(H,19,23).
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide is sourced from PubChem (CID 87043604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).