N-[2-(furan-2-yl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide

C14H12N2O3S — CID 20963626

IUPACN-[2-(furan-2-yl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESO=C(NCCc1ccco1)c1ncoc1-c1cccs1
InChIInChI=1S/C14H12N2O3S/c17-14(15-6-5-10-3-1-7-18-10)12-13(19-9-16-12)11-4-2-8-20-11/h1-4,7-9H,5-6H2,(H,15,17)
InChIKeyWVTWTQWACOKOFF-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.97
Rot. Bonds5

About N-[2-(furan-2-yl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide

N-[2-(furan-2-yl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 20963626) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
PubChem CID20963626
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC NameN-[2-(furan-2-yl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESO=C(NCCc1ccco1)c1ncoc1-c1cccs1
InChIInChI=1S/C14H12N2O3S/c17-14(15-6-5-10-3-1-7-18-10)12-13(19-9-16-12)11-4-2-8-20-11/h1-4,7-9H,5-6H2,(H,15,17)
InChIKeyWVTWTQWACOKOFF-UHFFFAOYSA-N
XLogP2.97
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide (CID 20963626) is N-[2-(furan-2-yl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide is O=C(NCCc1ccco1)c1ncoc1-c1cccs1.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is WVTWTQWACOKOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c17-14(15-6-5-10-3-1-7-18-10)12-13(19-9-16-12)11-4-2-8-20-11/h1-4,7-9H,5-6H2,(H,15,17).
What are the key properties of N-[2-(furan-2-yl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide?
N-[2-(furan-2-yl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 288.33 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 20963626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).