2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]benzamide

C25H18FN3O5S — CID 154805757

IUPAC2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]benzamide
SMILESO=C1CCc2cc(S(=O)(=O)NC(=O)c3ccccc3-c3ncc(-c4ccccc4F)o3)ccc2N1
InChIInChI=1S/C25H18FN3O5S/c26-20-8-4-3-7-19(20)22-14-27-25(34-22)18-6-2-1-5-17(18)24(31)29-35(32,33)16-10-11-21-15(13-16)9-12-23(30)28-21/h1-8,10-11,13-14H,9,12H2,(H,28,30)(H,29,31)
InChIKeyZVGVITRZYMSVJN-UHFFFAOYSA-N
MW491.50 g/mol
LogP4.15
Rot. Bonds5

About 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]benzamide

2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]benzamide (PubChem CID 154805757) has the molecular formula C25H18FN3O5S and a molecular weight of 491.50 g/mol. Its IUPAC name is 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]benzamide.

Molecular Properties

Compound Name2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]benzamide
PubChem CID154805757
Molecular FormulaC25H18FN3O5S
Molecular Weight491.50 g/mol
Exact Mass491.10
IUPAC Name2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]benzamide
SMILESO=C1CCc2cc(S(=O)(=O)NC(=O)c3ccccc3-c3ncc(-c4ccccc4F)o3)ccc2N1
InChIInChI=1S/C25H18FN3O5S/c26-20-8-4-3-7-19(20)22-14-27-25(34-22)18-6-2-1-5-17(18)24(31)29-35(32,33)16-10-11-21-15(13-16)9-12-23(30)28-21/h1-8,10-11,13-14H,9,12H2,(H,28,30)(H,29,31)
InChIKeyZVGVITRZYMSVJN-UHFFFAOYSA-N
XLogP4.15
TPSA118.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.50
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]benzamide?
The IUPAC name of 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]benzamide (CID 154805757) is 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]benzamide.
What is the SMILES notation for 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]benzamide?
The canonical SMILES for 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]benzamide is O=C1CCc2cc(S(=O)(=O)NC(=O)c3ccccc3-c3ncc(-c4ccccc4F)o3)ccc2N1.
What is the InChIKey of 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]benzamide?
The InChIKey is ZVGVITRZYMSVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN3O5S/c26-20-8-4-3-7-19(20)22-14-27-25(34-22)18-6-2-1-5-17(18)24(31)29-35(32,33)16-10-11-21-15(13-16)9-12-23(30)28-21/h1-8,10-11,13-14H,9,12H2,(H,28,30)(H,29,31).
What are the key properties of 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]benzamide?
2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]benzamide has a molecular weight of 491.50 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]benzamide is sourced from PubChem (CID 154805757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).