N-[3-[(3-fluoropyridine-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C17H15FN4O3S — CID 118877041

IUPACN-[3-[(3-fluoropyridine-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCNC(=O)c1ncccc1F)c1cc(-c2cccs2)on1
InChIInChI=1S/C17H15FN4O3S/c18-11-4-1-6-19-15(11)17(24)21-8-3-7-20-16(23)12-10-13(25-22-12)14-5-2-9-26-14/h1-2,4-6,9-10H,3,7-8H2,(H,20,23)(H,21,24)
InChIKeyYMZIIFRCTAKPGS-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.49
Rot. Bonds7

About N-[3-[(3-fluoropyridine-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

N-[3-[(3-fluoropyridine-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 118877041) has the molecular formula C17H15FN4O3S and a molecular weight of 374.40 g/mol. Its IUPAC name is N-[3-[(3-fluoropyridine-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-fluoropyridine-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID118877041
Molecular FormulaC17H15FN4O3S
Molecular Weight374.40 g/mol
Exact Mass374.08
IUPAC NameN-[3-[(3-fluoropyridine-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCNC(=O)c1ncccc1F)c1cc(-c2cccs2)on1
InChIInChI=1S/C17H15FN4O3S/c18-11-4-1-6-19-15(11)17(24)21-8-3-7-20-16(23)12-10-13(25-22-12)14-5-2-9-26-14/h1-2,4-6,9-10H,3,7-8H2,(H,20,23)(H,21,24)
InChIKeyYMZIIFRCTAKPGS-UHFFFAOYSA-N
XLogP2.49
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 N-[3-[(3-fluoropyridine-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-[(3-fluoropyridine-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 118877041) is N-[3-[(3-fluoropyridine-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-[(3-fluoropyridine-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-[(3-fluoropyridine-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is O=C(NCCCNC(=O)c1ncccc1F)c1cc(-c2cccs2)on1.
What is the InChIKey of N-[3-[(3-fluoropyridine-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is YMZIIFRCTAKPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O3S/c18-11-4-1-6-19-15(11)17(24)21-8-3-7-20-16(23)12-10-13(25-22-12)14-5-2-9-26-14/h1-2,4-6,9-10H,3,7-8H2,(H,20,23)(H,21,24).
What are the key properties of N-[3-[(3-fluoropyridine-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-[3-[(3-fluoropyridine-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-fluoropyridine-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 118877041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).