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

C16H16N4O2S — CID 71808154

IUPAC5-cyclopropyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCCn1ccc(-c2cccs2)n1)c1cc(C2CC2)on1
InChIInChI=1S/C16H16N4O2S/c21-16(13-10-14(22-19-13)11-3-4-11)17-6-8-20-7-5-12(18-20)15-2-1-9-23-15/h1-2,5,7,9-11H,3-4,6,8H2,(H,17,21)
InChIKeyRKFZOFXXTKNFBM-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.91
Rot. Bonds6

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

5-cyclopropyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 71808154) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 5-cyclopropyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID71808154
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name5-cyclopropyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCCn1ccc(-c2cccs2)n1)c1cc(C2CC2)on1
InChIInChI=1S/C16H16N4O2S/c21-16(13-10-14(22-19-13)11-3-4-11)17-6-8-20-7-5-12(18-20)15-2-1-9-23-15/h1-2,5,7,9-11H,3-4,6,8H2,(H,17,21)
InChIKeyRKFZOFXXTKNFBM-UHFFFAOYSA-N
XLogP2.91
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.91
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-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide (CID 71808154) is 5-cyclopropyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide is O=C(NCCn1ccc(-c2cccs2)n1)c1cc(C2CC2)on1.
What is the InChIKey of 5-cyclopropyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is RKFZOFXXTKNFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c21-16(13-10-14(22-19-13)11-3-4-11)17-6-8-20-7-5-12(18-20)15-2-1-9-23-15/h1-2,5,7,9-11H,3-4,6,8H2,(H,17,21).
What are the key properties of 5-cyclopropyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 328.40 g/mol, XLogP of 2.91, 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-(3-thiophen-2-ylpyrazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 71808154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).