5-methyl-N-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide

C14H14N4O2S — CID 71797159

IUPAC5-methyl-N-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCCc2ncc(-c3cccs3)[nH]2)no1
InChIInChI=1S/C14H14N4O2S/c1-9-7-10(18-20-9)14(19)15-5-4-13-16-8-11(17-13)12-3-2-6-21-12/h2-3,6-8H,4-5H2,1H3,(H,15,19)(H,16,17)
InChIKeyZPXZSWBQYRZLEN-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.41
Rot. Bonds5

About 5-methyl-N-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide

5-methyl-N-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 71797159) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 5-methyl-N-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID71797159
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Name5-methyl-N-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCCc2ncc(-c3cccs3)[nH]2)no1
InChIInChI=1S/C14H14N4O2S/c1-9-7-10(18-20-9)14(19)15-5-4-13-16-8-11(17-13)12-3-2-6-21-12/h2-3,6-8H,4-5H2,1H3,(H,15,19)(H,16,17)
InChIKeyZPXZSWBQYRZLEN-UHFFFAOYSA-N
XLogP2.41
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide (CID 71797159) is 5-methyl-N-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCCc2ncc(-c3cccs3)[nH]2)no1.
What is the InChIKey of 5-methyl-N-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is ZPXZSWBQYRZLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-9-7-10(18-20-9)14(19)15-5-4-13-16-8-11(17-13)12-3-2-6-21-12/h2-3,6-8H,4-5H2,1H3,(H,15,19)(H,16,17).
What are the key properties of 5-methyl-N-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 302.36 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 71797159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).