2,5-dimethyl-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]furan-3-carboxamide

C15H14N2O3S — CID 45497802

IUPAC2,5-dimethyl-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]furan-3-carboxamide
SMILESCc1cc(C(=O)NCc2cc(-c3cccs3)on2)c(C)o1
InChIInChI=1S/C15H14N2O3S/c1-9-6-12(10(2)19-9)15(18)16-8-11-7-13(20-17-11)14-4-3-5-21-14/h3-7H,8H2,1-2H3,(H,16,18)
InChIKeyHGODBFXECAJRDO-UHFFFAOYSA-N
MW302.36 g/mol
LogP3.54
Rot. Bonds4

About 2,5-dimethyl-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]furan-3-carboxamide

2,5-dimethyl-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]furan-3-carboxamide (PubChem CID 45497802) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]furan-3-carboxamide
PubChem CID45497802
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name2,5-dimethyl-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]furan-3-carboxamide
SMILESCc1cc(C(=O)NCc2cc(-c3cccs3)on2)c(C)o1
InChIInChI=1S/C15H14N2O3S/c1-9-6-12(10(2)19-9)15(18)16-8-11-7-13(20-17-11)14-4-3-5-21-14/h3-7H,8H2,1-2H3,(H,16,18)
InChIKeyHGODBFXECAJRDO-UHFFFAOYSA-N
XLogP3.54
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]furan-3-carboxamide (CID 45497802) is 2,5-dimethyl-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]furan-3-carboxamide is Cc1cc(C(=O)NCc2cc(-c3cccs3)on2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]furan-3-carboxamide?
The InChIKey is HGODBFXECAJRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-9-6-12(10(2)19-9)15(18)16-8-11-7-13(20-17-11)14-4-3-5-21-14/h3-7H,8H2,1-2H3,(H,16,18).
What are the key properties of 2,5-dimethyl-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]furan-3-carboxamide?
2,5-dimethyl-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]furan-3-carboxamide has a molecular weight of 302.36 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]furan-3-carboxamide is sourced from PubChem (CID 45497802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).