2-[3-(4-fluorophenyl)propylsulfanyl]-N-(1,3-oxazol-2-ylmethyl)pyridine-3-carboxamide

C19H18FN3O2S — CID 67521505

IUPAC2-[3-(4-fluorophenyl)propylsulfanyl]-N-(1,3-oxazol-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ncco1)c1cccnc1SCCCc1ccc(F)cc1
InChIInChI=1S/C19H18FN3O2S/c20-15-7-5-14(6-8-15)3-2-12-26-19-16(4-1-9-22-19)18(24)23-13-17-21-10-11-25-17/h1,4-11H,2-3,12-13H2,(H,23,24)
InChIKeyBUAOAOFUASXMFK-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.86
Rot. Bonds8

About 2-[3-(4-fluorophenyl)propylsulfanyl]-N-(1,3-oxazol-2-ylmethyl)pyridine-3-carboxamide

2-[3-(4-fluorophenyl)propylsulfanyl]-N-(1,3-oxazol-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 67521505) has the molecular formula C19H18FN3O2S and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)propylsulfanyl]-N-(1,3-oxazol-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)propylsulfanyl]-N-(1,3-oxazol-2-ylmethyl)pyridine-3-carboxamide
PubChem CID67521505
Molecular FormulaC19H18FN3O2S
Molecular Weight371.44 g/mol
Exact Mass371.11
IUPAC Name2-[3-(4-fluorophenyl)propylsulfanyl]-N-(1,3-oxazol-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ncco1)c1cccnc1SCCCc1ccc(F)cc1
InChIInChI=1S/C19H18FN3O2S/c20-15-7-5-14(6-8-15)3-2-12-26-19-16(4-1-9-22-19)18(24)23-13-17-21-10-11-25-17/h1,4-11H,2-3,12-13H2,(H,23,24)
InChIKeyBUAOAOFUASXMFK-UHFFFAOYSA-N
XLogP3.86
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 71158530
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CID 3527673
CID 3527673
CID 3527674
CID 3527674
CID 3661744
CID 3661744
CID 3661745
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CID 55757030
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CID 56139835
CID 56139835

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)propylsulfanyl]-N-(1,3-oxazol-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[3-(4-fluorophenyl)propylsulfanyl]-N-(1,3-oxazol-2-ylmethyl)pyridine-3-carboxamide (CID 67521505) is 2-[3-(4-fluorophenyl)propylsulfanyl]-N-(1,3-oxazol-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[3-(4-fluorophenyl)propylsulfanyl]-N-(1,3-oxazol-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[3-(4-fluorophenyl)propylsulfanyl]-N-(1,3-oxazol-2-ylmethyl)pyridine-3-carboxamide is O=C(NCc1ncco1)c1cccnc1SCCCc1ccc(F)cc1.
What is the InChIKey of 2-[3-(4-fluorophenyl)propylsulfanyl]-N-(1,3-oxazol-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is BUAOAOFUASXMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2S/c20-15-7-5-14(6-8-15)3-2-12-26-19-16(4-1-9-22-19)18(24)23-13-17-21-10-11-25-17/h1,4-11H,2-3,12-13H2,(H,23,24).
What are the key properties of 2-[3-(4-fluorophenyl)propylsulfanyl]-N-(1,3-oxazol-2-ylmethyl)pyridine-3-carboxamide?
2-[3-(4-fluorophenyl)propylsulfanyl]-N-(1,3-oxazol-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)propylsulfanyl]-N-(1,3-oxazol-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 67521505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).