N-[3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C18H18N4O4S — CID 118877068

IUPACN-[3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCc1ccc(C(=O)NCCCNC(=O)c2cc(-c3cccs3)on2)c(=O)[nH]1
InChIInChI=1S/C18H18N4O4S/c1-11-5-6-12(17(24)21-11)16(23)19-7-3-8-20-18(25)13-10-14(26-22-13)15-4-2-9-27-15/h2,4-6,9-10H,3,7-8H2,1H3,(H,19,23)(H,20,25)(H,21,24)
InChIKeyXDLHAWAYKCRTBM-UHFFFAOYSA-N
MW386.43 g/mol
LogP1.95
Rot. Bonds7

About N-[3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

N-[3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 118877068) has the molecular formula C18H18N4O4S and a molecular weight of 386.43 g/mol. Its IUPAC name is N-[3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID118877068
Molecular FormulaC18H18N4O4S
Molecular Weight386.43 g/mol
Exact Mass386.10
IUPAC NameN-[3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCc1ccc(C(=O)NCCCNC(=O)c2cc(-c3cccs3)on2)c(=O)[nH]1
InChIInChI=1S/C18H18N4O4S/c1-11-5-6-12(17(24)21-11)16(23)19-7-3-8-20-18(25)13-10-14(26-22-13)15-4-2-9-27-15/h2,4-6,9-10H,3,7-8H2,1H3,(H,19,23)(H,20,25)(H,21,24)
InChIKeyXDLHAWAYKCRTBM-UHFFFAOYSA-N
XLogP1.95
TPSA117.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 51.95
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-[(5-methylpyridine-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 131990203
N-[3-[(2-oxo-1H-pyridine-4-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 118877088
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-aminopyrazine-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 118877092
N-[3-[(4-methylfuran-2-yl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 118901821
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
N-[5-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pentyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 135334854
5-thiophen-2-yl-N-[3-(1H-1,2,4-triazol-5-ylsulfanyl)propyl]-1,2-oxazole-3-carboxamide
CID 25164516
N-[2-(2-fluorophenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 33195789

Frequently Asked Questions

What is the IUPAC name of N-[3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 118877068) is N-[3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is Cc1ccc(C(=O)NCCCNC(=O)c2cc(-c3cccs3)on2)c(=O)[nH]1.
What is the InChIKey of N-[3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is XDLHAWAYKCRTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S/c1-11-5-6-12(17(24)21-11)16(23)19-7-3-8-20-18(25)13-10-14(26-22-13)15-4-2-9-27-15/h2,4-6,9-10H,3,7-8H2,1H3,(H,19,23)(H,20,25)(H,21,24).
What are the key properties of N-[3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-[3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 386.43 g/mol, XLogP of 1.95, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 118877068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).