5-(1H-pyrazol-5-yl)-4-thiophen-2-yl-1,3-oxazole

C10H7N3OS — CID 91424584

IUPAC5-(1H-pyrazol-5-yl)-4-thiophen-2-yl-1,3-oxazole
SMILESc1csc(-c2ncoc2-c2ccn[nH]2)c1
InChIInChI=1S/C10H7N3OS/c1-2-8(15-5-1)9-10(14-6-11-9)7-3-4-12-13-7/h1-6H,(H,12,13)
InChIKeyUVKKQPDYIUTETO-UHFFFAOYSA-N
MW217.25 g/mol
LogP2.79
Rot. Bonds2

About 5-(1H-pyrazol-5-yl)-4-thiophen-2-yl-1,3-oxazole

5-(1H-pyrazol-5-yl)-4-thiophen-2-yl-1,3-oxazole (PubChem CID 91424584) has the molecular formula C10H7N3OS and a molecular weight of 217.25 g/mol. Its IUPAC name is 5-(1H-pyrazol-5-yl)-4-thiophen-2-yl-1,3-oxazole.

Molecular Properties

Compound Name5-(1H-pyrazol-5-yl)-4-thiophen-2-yl-1,3-oxazole
PubChem CID91424584
Molecular FormulaC10H7N3OS
Molecular Weight217.25 g/mol
Exact Mass217.03
IUPAC Name5-(1H-pyrazol-5-yl)-4-thiophen-2-yl-1,3-oxazole
SMILESc1csc(-c2ncoc2-c2ccn[nH]2)c1
InChIInChI=1S/C10H7N3OS/c1-2-8(15-5-1)9-10(14-6-11-9)7-3-4-12-13-7/h1-6H,(H,12,13)
InChIKeyUVKKQPDYIUTETO-UHFFFAOYSA-N
XLogP2.79
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-pyrazol-5-yl)-4-thiophen-2-yl-1,3-oxazole?
The IUPAC name of 5-(1H-pyrazol-5-yl)-4-thiophen-2-yl-1,3-oxazole (CID 91424584) is 5-(1H-pyrazol-5-yl)-4-thiophen-2-yl-1,3-oxazole.
What is the SMILES notation for 5-(1H-pyrazol-5-yl)-4-thiophen-2-yl-1,3-oxazole?
The canonical SMILES for 5-(1H-pyrazol-5-yl)-4-thiophen-2-yl-1,3-oxazole is c1csc(-c2ncoc2-c2ccn[nH]2)c1.
What is the InChIKey of 5-(1H-pyrazol-5-yl)-4-thiophen-2-yl-1,3-oxazole?
The InChIKey is UVKKQPDYIUTETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3OS/c1-2-8(15-5-1)9-10(14-6-11-9)7-3-4-12-13-7/h1-6H,(H,12,13).
What are the key properties of 5-(1H-pyrazol-5-yl)-4-thiophen-2-yl-1,3-oxazole?
5-(1H-pyrazol-5-yl)-4-thiophen-2-yl-1,3-oxazole has a molecular weight of 217.25 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-pyrazol-5-yl)-4-thiophen-2-yl-1,3-oxazole is sourced from PubChem (CID 91424584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).