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

C17H18N4O2S — CID 71797222

IUPAC5-cyclopropyl-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCn1cc(-c2cccs2)nc1CCNC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C17H18N4O2S/c1-21-10-13(15-3-2-8-24-15)19-16(21)6-7-18-17(22)12-9-14(23-20-12)11-4-5-11/h2-3,8-11H,4-7H2,1H3,(H,18,22)
InChIKeyOTXKPQARSUWGGN-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.99
Rot. Bonds6

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

5-cyclopropyl-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 71797222) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 5-cyclopropyl-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID71797222
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name5-cyclopropyl-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCn1cc(-c2cccs2)nc1CCNC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C17H18N4O2S/c1-21-10-13(15-3-2-8-24-15)19-16(21)6-7-18-17(22)12-9-14(23-20-12)11-4-5-11/h2-3,8-11H,4-7H2,1H3,(H,18,22)
InChIKeyOTXKPQARSUWGGN-UHFFFAOYSA-N
XLogP2.99
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide (CID 71797222) is 5-cyclopropyl-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide is Cn1cc(-c2cccs2)nc1CCNC(=O)c1cc(C2CC2)on1.
What is the InChIKey of 5-cyclopropyl-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is OTXKPQARSUWGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-21-10-13(15-3-2-8-24-15)19-16(21)6-7-18-17(22)12-9-14(23-20-12)11-4-5-11/h2-3,8-11H,4-7H2,1H3,(H,18,22).
What are the key properties of 5-cyclopropyl-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 71797222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).