N-[(2-fluorophenyl)-methyl-oxo-λ6-sulfanylidene]-4-(2-methyl-1,3-oxazol-4-yl)benzamide

C18H15FN2O3S — CID 159881532

IUPACN-[(2-fluorophenyl)-methyl-oxo-λ6-sulfanylidene]-4-(2-methyl-1,3-oxazol-4-yl)benzamide
SMILESCc1nc(-c2ccc(C(=O)N=S(C)(=O)c3ccccc3F)cc2)co1
InChIInChI=1S/C18H15FN2O3S/c1-12-20-16(11-24-12)13-7-9-14(10-8-13)18(22)21-25(2,23)17-6-4-3-5-15(17)19/h3-11H,1-2H3
InChIKeyNTOVRLSXHDJSPN-UHFFFAOYSA-N
MW358.39 g/mol
LogP4.09
Rot. Bonds3

About N-[(2-fluorophenyl)-methyl-oxo-λ6-sulfanylidene]-4-(2-methyl-1,3-oxazol-4-yl)benzamide

N-[(2-fluorophenyl)-methyl-oxo-λ6-sulfanylidene]-4-(2-methyl-1,3-oxazol-4-yl)benzamide (PubChem CID 159881532) has the molecular formula C18H15FN2O3S and a molecular weight of 358.39 g/mol. Its IUPAC name is N-[(2-fluorophenyl)-methyl-oxo-λ6-sulfanylidene]-4-(2-methyl-1,3-oxazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)-methyl-oxo-λ6-sulfanylidene]-4-(2-methyl-1,3-oxazol-4-yl)benzamide
PubChem CID159881532
Molecular FormulaC18H15FN2O3S
Molecular Weight358.39 g/mol
Exact Mass358.08
IUPAC NameN-[(2-fluorophenyl)-methyl-oxo-λ6-sulfanylidene]-4-(2-methyl-1,3-oxazol-4-yl)benzamide
SMILESCc1nc(-c2ccc(C(=O)N=S(C)(=O)c3ccccc3F)cc2)co1
InChIInChI=1S/C18H15FN2O3S/c1-12-20-16(11-24-12)13-7-9-14(10-8-13)18(22)21-25(2,23)17-6-4-3-5-15(17)19/h3-11H,1-2H3
InChIKeyNTOVRLSXHDJSPN-UHFFFAOYSA-N
XLogP4.09
TPSA72.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)-methyl-oxo-λ6-sulfanylidene]-4-(2-methyl-1,3-oxazol-4-yl)benzamide?
The IUPAC name of N-[(2-fluorophenyl)-methyl-oxo-λ6-sulfanylidene]-4-(2-methyl-1,3-oxazol-4-yl)benzamide (CID 159881532) is N-[(2-fluorophenyl)-methyl-oxo-λ6-sulfanylidene]-4-(2-methyl-1,3-oxazol-4-yl)benzamide.
What is the SMILES notation for N-[(2-fluorophenyl)-methyl-oxo-λ6-sulfanylidene]-4-(2-methyl-1,3-oxazol-4-yl)benzamide?
The canonical SMILES for N-[(2-fluorophenyl)-methyl-oxo-λ6-sulfanylidene]-4-(2-methyl-1,3-oxazol-4-yl)benzamide is Cc1nc(-c2ccc(C(=O)N=S(C)(=O)c3ccccc3F)cc2)co1.
What is the InChIKey of N-[(2-fluorophenyl)-methyl-oxo-λ6-sulfanylidene]-4-(2-methyl-1,3-oxazol-4-yl)benzamide?
The InChIKey is NTOVRLSXHDJSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3S/c1-12-20-16(11-24-12)13-7-9-14(10-8-13)18(22)21-25(2,23)17-6-4-3-5-15(17)19/h3-11H,1-2H3.
What are the key properties of N-[(2-fluorophenyl)-methyl-oxo-λ6-sulfanylidene]-4-(2-methyl-1,3-oxazol-4-yl)benzamide?
N-[(2-fluorophenyl)-methyl-oxo-λ6-sulfanylidene]-4-(2-methyl-1,3-oxazol-4-yl)benzamide has a molecular weight of 358.39 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)-methyl-oxo-λ6-sulfanylidene]-4-(2-methyl-1,3-oxazol-4-yl)benzamide is sourced from PubChem (CID 159881532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).