7-(5-pyridin-2-yl-1,3-oxazol-2-yl)-1-thiophen-3-ylheptan-1-one

C19H20N2O2S — CID 67533309

IUPAC7-(5-pyridin-2-yl-1,3-oxazol-2-yl)-1-thiophen-3-ylheptan-1-one
SMILESO=C(CCCCCCc1ncc(-c2ccccn2)o1)c1ccsc1
InChIInChI=1S/C19H20N2O2S/c22-17(15-10-12-24-14-15)8-3-1-2-4-9-19-21-13-18(23-19)16-7-5-6-11-20-16/h5-7,10-14H,1-4,8-9H2
InChIKeyRJLQBZGHMJZICR-UHFFFAOYSA-N
MW340.45 g/mol
LogP5.17
Rot. Bonds9

About 7-(5-pyridin-2-yl-1,3-oxazol-2-yl)-1-thiophen-3-ylheptan-1-one

7-(5-pyridin-2-yl-1,3-oxazol-2-yl)-1-thiophen-3-ylheptan-1-one (PubChem CID 67533309) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 7-(5-pyridin-2-yl-1,3-oxazol-2-yl)-1-thiophen-3-ylheptan-1-one.

Molecular Properties

Compound Name7-(5-pyridin-2-yl-1,3-oxazol-2-yl)-1-thiophen-3-ylheptan-1-one
PubChem CID67533309
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name7-(5-pyridin-2-yl-1,3-oxazol-2-yl)-1-thiophen-3-ylheptan-1-one
SMILESO=C(CCCCCCc1ncc(-c2ccccn2)o1)c1ccsc1
InChIInChI=1S/C19H20N2O2S/c22-17(15-10-12-24-14-15)8-3-1-2-4-9-19-21-13-18(23-19)16-7-5-6-11-20-16/h5-7,10-14H,1-4,8-9H2
InChIKeyRJLQBZGHMJZICR-UHFFFAOYSA-N
XLogP5.17
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.45
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(5-pyridin-2-yl-1,3-oxazol-2-yl)-1-thiophen-3-ylheptan-1-one?
The IUPAC name of 7-(5-pyridin-2-yl-1,3-oxazol-2-yl)-1-thiophen-3-ylheptan-1-one (CID 67533309) is 7-(5-pyridin-2-yl-1,3-oxazol-2-yl)-1-thiophen-3-ylheptan-1-one.
What is the SMILES notation for 7-(5-pyridin-2-yl-1,3-oxazol-2-yl)-1-thiophen-3-ylheptan-1-one?
The canonical SMILES for 7-(5-pyridin-2-yl-1,3-oxazol-2-yl)-1-thiophen-3-ylheptan-1-one is O=C(CCCCCCc1ncc(-c2ccccn2)o1)c1ccsc1.
What is the InChIKey of 7-(5-pyridin-2-yl-1,3-oxazol-2-yl)-1-thiophen-3-ylheptan-1-one?
The InChIKey is RJLQBZGHMJZICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c22-17(15-10-12-24-14-15)8-3-1-2-4-9-19-21-13-18(23-19)16-7-5-6-11-20-16/h5-7,10-14H,1-4,8-9H2.
What are the key properties of 7-(5-pyridin-2-yl-1,3-oxazol-2-yl)-1-thiophen-3-ylheptan-1-one?
7-(5-pyridin-2-yl-1,3-oxazol-2-yl)-1-thiophen-3-ylheptan-1-one has a molecular weight of 340.45 g/mol, XLogP of 5.17, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-pyridin-2-yl-1,3-oxazol-2-yl)-1-thiophen-3-ylheptan-1-one is sourced from PubChem (CID 67533309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).