5-(4-fluorophenyl)-N-(4-sulfanylbutyl)-1,2-oxazole-3-carboxamide

C14H15FN2O2S — CID 127025539

IUPAC5-(4-fluorophenyl)-N-(4-sulfanylbutyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCCS)c1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C14H15FN2O2S/c15-11-5-3-10(4-6-11)13-9-12(17-19-13)14(18)16-7-1-2-8-20/h3-6,9,20H,1-2,7-8H2,(H,16,18)
InChIKeyPONOJYFIWWPXHU-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.92
Rot. Bonds6

About 5-(4-fluorophenyl)-N-(4-sulfanylbutyl)-1,2-oxazole-3-carboxamide

5-(4-fluorophenyl)-N-(4-sulfanylbutyl)-1,2-oxazole-3-carboxamide (PubChem CID 127025539) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(4-sulfanylbutyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(4-sulfanylbutyl)-1,2-oxazole-3-carboxamide
PubChem CID127025539
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Name5-(4-fluorophenyl)-N-(4-sulfanylbutyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCCS)c1cc(-c2ccc(F)cc2)on1
InChIInChI=1S/C14H15FN2O2S/c15-11-5-3-10(4-6-11)13-9-12(17-19-13)14(18)16-7-1-2-8-20/h3-6,9,20H,1-2,7-8H2,(H,16,18)
InChIKeyPONOJYFIWWPXHU-UHFFFAOYSA-N
XLogP2.92
TPSA55.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

methyl 5-[[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]pentanoate
CID 121255246
5-(4-fluorophenyl)-N-(3-propan-2-yloxypropyl)-1,2-oxazole-3-carboxamide
CID 99600147
5-(4-fluorophenyl)-N-[3-(5-methylpyrazol-1-yl)propyl]-1,2-oxazole-3-carboxamide
CID 19327900
5-(4-fluorophenyl)-N-[3-(1,2,4-triazol-1-yl)propyl]-1,2-oxazole-3-carboxamide
CID 24738316
5-(4-fluorophenyl)-N-[5-[3-(methylsulfanylamino)azetidin-1-yl]pentyl]-1,2-oxazole-3-carboxamide
CID 142434206
5-(4-fluorophenyl)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1,2-oxazole-3-carboxamide
CID 19295789
N-[5-[3-(cyanomethylcarbamoyl)azetidin-1-yl]pentyl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 135334775
5-(4-fluorophenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1,2-oxazole-3-carboxamide
CID 121255629
5-(4-bromophenyl)-N-butyl-1,2-oxazole-3-carboxamide
CID 22427396
N-[3-(3-fluorophenyl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 91954603
N-[3-(chloroamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 118906505
N-butyl-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3244327

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-(4-sulfanylbutyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-(4-sulfanylbutyl)-1,2-oxazole-3-carboxamide (CID 127025539) is 5-(4-fluorophenyl)-N-(4-sulfanylbutyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(4-sulfanylbutyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-(4-sulfanylbutyl)-1,2-oxazole-3-carboxamide is O=C(NCCCCS)c1cc(-c2ccc(F)cc2)on1.
What is the InChIKey of 5-(4-fluorophenyl)-N-(4-sulfanylbutyl)-1,2-oxazole-3-carboxamide?
The InChIKey is PONOJYFIWWPXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c15-11-5-3-10(4-6-11)13-9-12(17-19-13)14(18)16-7-1-2-8-20/h3-6,9,20H,1-2,7-8H2,(H,16,18).
What are the key properties of 5-(4-fluorophenyl)-N-(4-sulfanylbutyl)-1,2-oxazole-3-carboxamide?
5-(4-fluorophenyl)-N-(4-sulfanylbutyl)-1,2-oxazole-3-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-(4-sulfanylbutyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 127025539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).