N-[4-(pyridine-3-carbonylamino)butyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C18H18N4O3S — CID 122190963

IUPACN-[4-(pyridine-3-carbonylamino)butyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCCNC(=O)c1cc(-c2cccs2)on1)c1cccnc1
InChIInChI=1S/C18H18N4O3S/c23-17(13-5-3-7-19-12-13)20-8-1-2-9-21-18(24)14-11-15(25-22-14)16-6-4-10-26-16/h3-7,10-12H,1-2,8-9H2,(H,20,23)(H,21,24)
InChIKeyKGOPZSDITLVNTB-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.74
Rot. Bonds8

About N-[4-(pyridine-3-carbonylamino)butyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

N-[4-(pyridine-3-carbonylamino)butyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 122190963) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-[4-(pyridine-3-carbonylamino)butyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(pyridine-3-carbonylamino)butyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID122190963
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC NameN-[4-(pyridine-3-carbonylamino)butyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCCNC(=O)c1cc(-c2cccs2)on1)c1cccnc1
InChIInChI=1S/C18H18N4O3S/c23-17(13-5-3-7-19-12-13)20-8-1-2-9-21-18(24)14-11-15(25-22-14)16-6-4-10-26-16/h3-7,10-12H,1-2,8-9H2,(H,20,23)(H,21,24)
InChIKeyKGOPZSDITLVNTB-UHFFFAOYSA-N
XLogP2.74
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.74
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-[4-(pyridine-3-carbonylamino)butyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[4-(pyridine-3-carbonylamino)butyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 122190963) is N-[4-(pyridine-3-carbonylamino)butyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[4-(pyridine-3-carbonylamino)butyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[4-(pyridine-3-carbonylamino)butyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is O=C(NCCCCNC(=O)c1cc(-c2cccs2)on1)c1cccnc1.
What is the InChIKey of N-[4-(pyridine-3-carbonylamino)butyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is KGOPZSDITLVNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c23-17(13-5-3-7-19-12-13)20-8-1-2-9-21-18(24)14-11-15(25-22-14)16-6-4-10-26-16/h3-7,10-12H,1-2,8-9H2,(H,20,23)(H,21,24).
What are the key properties of N-[4-(pyridine-3-carbonylamino)butyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-[4-(pyridine-3-carbonylamino)butyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pyridine-3-carbonylamino)butyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 122190963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).