N-[3-[(2-oxo-1H-pyridine-4-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C17H16N4O4S — CID 118877088

IUPACN-[3-[(2-oxo-1H-pyridine-4-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCNC(=O)c1cc(-c2cccs2)on1)c1cc[nH]c(=O)c1
InChIInChI=1S/C17H16N4O4S/c22-15-9-11(4-7-18-15)16(23)19-5-2-6-20-17(24)12-10-13(25-21-12)14-3-1-8-26-14/h1,3-4,7-10H,2,5-6H2,(H,18,22)(H,19,23)(H,20,24)
InChIKeyFNKQUPOJQSJWHZ-UHFFFAOYSA-N
MW372.41 g/mol
LogP1.64
Rot. Bonds7

About N-[3-[(2-oxo-1H-pyridine-4-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

N-[3-[(2-oxo-1H-pyridine-4-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 118877088) has the molecular formula C17H16N4O4S and a molecular weight of 372.41 g/mol. Its IUPAC name is N-[3-[(2-oxo-1H-pyridine-4-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-oxo-1H-pyridine-4-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID118877088
Molecular FormulaC17H16N4O4S
Molecular Weight372.41 g/mol
Exact Mass372.09
IUPAC NameN-[3-[(2-oxo-1H-pyridine-4-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCNC(=O)c1cc(-c2cccs2)on1)c1cc[nH]c(=O)c1
InChIInChI=1S/C17H16N4O4S/c22-15-9-11(4-7-18-15)16(23)19-5-2-6-20-17(24)12-10-13(25-21-12)14-3-1-8-26-14/h1,3-4,7-10H,2,5-6H2,(H,18,22)(H,19,23)(H,20,24)
InChIKeyFNKQUPOJQSJWHZ-UHFFFAOYSA-N
XLogP1.64
TPSA117.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(6-aminopyrazine-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 118877092
N-[3-(furan-2-carbonylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 131990205
6-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]hexanoic acid
CID 43170031
N-[3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 118877068
N-[3-[(5-methylpyridine-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 131990203
N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 176776996
N-(5-morpholin-4-ylpentyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 135334778
boranuide;N-(5-hydroxypentyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-(5-oxopentyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 160849837
5-thiophen-2-yl-N-[3-(1H-1,2,4-triazol-5-ylsulfanyl)propyl]-1,2-oxazole-3-carboxamide
CID 25164516
N-[3-[(4-methylfuran-2-yl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 118901821
N-[2-(2-fluorophenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 33195789
N-(2-hydroxy-3-methylbutyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 115744558

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-oxo-1H-pyridine-4-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-[(2-oxo-1H-pyridine-4-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 118877088) is N-[3-[(2-oxo-1H-pyridine-4-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-[(2-oxo-1H-pyridine-4-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-[(2-oxo-1H-pyridine-4-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is O=C(NCCCNC(=O)c1cc(-c2cccs2)on1)c1cc[nH]c(=O)c1.
What is the InChIKey of N-[3-[(2-oxo-1H-pyridine-4-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is FNKQUPOJQSJWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4S/c22-15-9-11(4-7-18-15)16(23)19-5-2-6-20-17(24)12-10-13(25-21-12)14-3-1-8-26-14/h1,3-4,7-10H,2,5-6H2,(H,18,22)(H,19,23)(H,20,24).
What are the key properties of N-[3-[(2-oxo-1H-pyridine-4-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-[3-[(2-oxo-1H-pyridine-4-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 372.41 g/mol, XLogP of 1.64, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-oxo-1H-pyridine-4-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 118877088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).