N-(furan-2-ylmethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C13H10N2O3S — CID 3238382

IUPACN-(furan-2-ylmethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1ccco1)c1cc(-c2cccs2)on1
InChIInChI=1S/C13H10N2O3S/c16-13(14-8-9-3-1-5-17-9)10-7-11(18-15-10)12-4-2-6-19-12/h1-7H,8H2,(H,14,16)
InChIKeyIFAAOARLEKDWEC-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.93
Rot. Bonds4

About N-(furan-2-ylmethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

N-(furan-2-ylmethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 3238382) has the molecular formula C13H10N2O3S and a molecular weight of 274.30 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID3238382
Molecular FormulaC13H10N2O3S
Molecular Weight274.30 g/mol
Exact Mass274.04
IUPAC NameN-(furan-2-ylmethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1ccco1)c1cc(-c2cccs2)on1
InChIInChI=1S/C13H10N2O3S/c16-13(14-8-9-3-1-5-17-9)10-7-11(18-15-10)12-4-2-6-19-12/h1-7H,8H2,(H,14,16)
InChIKeyIFAAOARLEKDWEC-UHFFFAOYSA-N
XLogP2.93
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 3238382) is N-(furan-2-ylmethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is O=C(NCc1ccco1)c1cc(-c2cccs2)on1.
What is the InChIKey of N-(furan-2-ylmethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is IFAAOARLEKDWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3S/c16-13(14-8-9-3-1-5-17-9)10-7-11(18-15-10)12-4-2-6-19-12/h1-7H,8H2,(H,14,16).
What are the key properties of N-(furan-2-ylmethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-(furan-2-ylmethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 274.30 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3238382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).