5-(2-fluorophenyl)-N-[3-(methanesulfonamido)propyl]-1,2-oxazole-3-carboxamide

C14H16FN3O4S — CID 53498114

IUPAC5-(2-fluorophenyl)-N-[3-(methanesulfonamido)propyl]-1,2-oxazole-3-carboxamide
SMILESCS(=O)(=O)NCCCNC(=O)c1cc(-c2ccccc2F)on1
InChIInChI=1S/C14H16FN3O4S/c1-23(20,21)17-8-4-7-16-14(19)12-9-13(22-18-12)10-5-2-3-6-11(10)15/h2-3,5-6,9,17H,4,7-8H2,1H3,(H,16,19)
InChIKeyJPXRJEVONGGYDM-UHFFFAOYSA-N
MW341.36 g/mol
LogP1.15
Rot. Bonds7

About 5-(2-fluorophenyl)-N-[3-(methanesulfonamido)propyl]-1,2-oxazole-3-carboxamide

5-(2-fluorophenyl)-N-[3-(methanesulfonamido)propyl]-1,2-oxazole-3-carboxamide (PubChem CID 53498114) has the molecular formula C14H16FN3O4S and a molecular weight of 341.36 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-[3-(methanesulfonamido)propyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-[3-(methanesulfonamido)propyl]-1,2-oxazole-3-carboxamide
PubChem CID53498114
Molecular FormulaC14H16FN3O4S
Molecular Weight341.36 g/mol
Exact Mass341.08
IUPAC Name5-(2-fluorophenyl)-N-[3-(methanesulfonamido)propyl]-1,2-oxazole-3-carboxamide
SMILESCS(=O)(=O)NCCCNC(=O)c1cc(-c2ccccc2F)on1
InChIInChI=1S/C14H16FN3O4S/c1-23(20,21)17-8-4-7-16-14(19)12-9-13(22-18-12)10-5-2-3-6-11(10)15/h2-3,5-6,9,17H,4,7-8H2,1H3,(H,16,19)
InChIKeyJPXRJEVONGGYDM-UHFFFAOYSA-N
XLogP1.15
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-[3-(methanesulfonamido)propyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(2-fluorophenyl)-N-[3-(methanesulfonamido)propyl]-1,2-oxazole-3-carboxamide (CID 53498114) is 5-(2-fluorophenyl)-N-[3-(methanesulfonamido)propyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(2-fluorophenyl)-N-[3-(methanesulfonamido)propyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(2-fluorophenyl)-N-[3-(methanesulfonamido)propyl]-1,2-oxazole-3-carboxamide is CS(=O)(=O)NCCCNC(=O)c1cc(-c2ccccc2F)on1.
What is the InChIKey of 5-(2-fluorophenyl)-N-[3-(methanesulfonamido)propyl]-1,2-oxazole-3-carboxamide?
The InChIKey is JPXRJEVONGGYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O4S/c1-23(20,21)17-8-4-7-16-14(19)12-9-13(22-18-12)10-5-2-3-6-11(10)15/h2-3,5-6,9,17H,4,7-8H2,1H3,(H,16,19).
What are the key properties of 5-(2-fluorophenyl)-N-[3-(methanesulfonamido)propyl]-1,2-oxazole-3-carboxamide?
5-(2-fluorophenyl)-N-[3-(methanesulfonamido)propyl]-1,2-oxazole-3-carboxamide has a molecular weight of 341.36 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N-[3-(methanesulfonamido)propyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 53498114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).