N-[3-(furan-2-carbonylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C16H15N3O4S — CID 131990205

IUPACN-[3-(furan-2-carbonylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCNC(=O)c1ccco1)c1cc(-c2cccs2)on1
InChIInChI=1S/C16H15N3O4S/c20-15(11-10-13(23-19-11)14-5-2-9-24-14)17-6-3-7-18-16(21)12-4-1-8-22-12/h1-2,4-5,8-10H,3,6-7H2,(H,17,20)(H,18,21)
InChIKeyHIEIPSKFBPISSP-UHFFFAOYSA-N
MW345.38 g/mol
LogP2.55
Rot. Bonds7

About N-[3-(furan-2-carbonylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

N-[3-(furan-2-carbonylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 131990205) has the molecular formula C16H15N3O4S and a molecular weight of 345.38 g/mol. Its IUPAC name is N-[3-(furan-2-carbonylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(furan-2-carbonylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID131990205
Molecular FormulaC16H15N3O4S
Molecular Weight345.38 g/mol
Exact Mass345.08
IUPAC NameN-[3-(furan-2-carbonylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCNC(=O)c1ccco1)c1cc(-c2cccs2)on1
InChIInChI=1S/C16H15N3O4S/c20-15(11-10-13(23-19-11)14-5-2-9-24-14)17-6-3-7-18-16(21)12-4-1-8-22-12/h1-2,4-5,8-10H,3,6-7H2,(H,17,20)(H,18,21)
InChIKeyHIEIPSKFBPISSP-UHFFFAOYSA-N
XLogP2.55
TPSA97.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 52.55
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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Related Compounds

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-[(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-[(4-methylfuran-2-yl)methylamino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 118901821
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-[3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 118877068
N-[2-(2-fluorophenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 33195789
N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 176776996
methyl 1-[5-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]pentyl]azetidine-3-carboxylate
CID 135334759
N-(2-pyridin-2-ylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 51305009

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-carbonylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-(furan-2-carbonylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 131990205) is N-[3-(furan-2-carbonylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-(furan-2-carbonylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-(furan-2-carbonylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is O=C(NCCCNC(=O)c1ccco1)c1cc(-c2cccs2)on1.
What is the InChIKey of N-[3-(furan-2-carbonylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is HIEIPSKFBPISSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S/c20-15(11-10-13(23-19-11)14-5-2-9-24-14)17-6-3-7-18-16(21)12-4-1-8-22-12/h1-2,4-5,8-10H,3,6-7H2,(H,17,20)(H,18,21).
What are the key properties of N-[3-(furan-2-carbonylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-[3-(furan-2-carbonylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 345.38 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-carbonylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 131990205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).