N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-3-(prop-2-enylsulfamoyl)benzamide

C16H18FN3O4S — CID 86822504

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cc(C(=O)NCc2nc(C)c(C)o2)ccc1F
InChIInChI=1S/C16H18FN3O4S/c1-4-7-19-25(22,23)14-8-12(5-6-13(14)17)16(21)18-9-15-20-10(2)11(3)24-15/h4-6,8,19H,1,7,9H2,2-3H3,(H,18,21)
InChIKeyMWXZFSUUCVMPJI-UHFFFAOYSA-N
MW367.40 g/mol
LogP1.82
Rot. Bonds7

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-3-(prop-2-enylsulfamoyl)benzamide

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-3-(prop-2-enylsulfamoyl)benzamide (PubChem CID 86822504) has the molecular formula C16H18FN3O4S and a molecular weight of 367.40 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-3-(prop-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-3-(prop-2-enylsulfamoyl)benzamide
PubChem CID86822504
Molecular FormulaC16H18FN3O4S
Molecular Weight367.40 g/mol
Exact Mass367.10
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cc(C(=O)NCc2nc(C)c(C)o2)ccc1F
InChIInChI=1S/C16H18FN3O4S/c1-4-7-19-25(22,23)14-8-12(5-6-13(14)17)16(21)18-9-15-20-10(2)11(3)24-15/h4-6,8,19H,1,7,9H2,2-3H3,(H,18,21)
InChIKeyMWXZFSUUCVMPJI-UHFFFAOYSA-N
XLogP1.82
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-3-(prop-2-enylsulfamoyl)benzamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-3-(prop-2-enylsulfamoyl)benzamide (CID 86822504) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-3-(prop-2-enylsulfamoyl)benzamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-3-(prop-2-enylsulfamoyl)benzamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-3-(prop-2-enylsulfamoyl)benzamide is C=CCNS(=O)(=O)c1cc(C(=O)NCc2nc(C)c(C)o2)ccc1F.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-3-(prop-2-enylsulfamoyl)benzamide?
The InChIKey is MWXZFSUUCVMPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O4S/c1-4-7-19-25(22,23)14-8-12(5-6-13(14)17)16(21)18-9-15-20-10(2)11(3)24-15/h4-6,8,19H,1,7,9H2,2-3H3,(H,18,21).
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-3-(prop-2-enylsulfamoyl)benzamide?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-3-(prop-2-enylsulfamoyl)benzamide has a molecular weight of 367.40 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-3-(prop-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 86822504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).