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

C19H20N2O2S — CID 16736616

IUPAC1-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7-thiophen-3-ylheptan-1-one
SMILESO=C(CCCCCCc1ccsc1)c1ncc(-c2ccccn2)o1
InChIInChI=1S/C19H20N2O2S/c22-17(9-4-2-1-3-7-15-10-12-24-14-15)19-21-13-18(23-19)16-8-5-6-11-20-16/h5-6,8,10-14H,1-4,7,9H2
InChIKeyBBFQYOOSPUJNBB-UHFFFAOYSA-N
MW340.45 g/mol
LogP5.17
Rot. Bonds9

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

1-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7-thiophen-3-ylheptan-1-one (PubChem CID 16736616) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 1-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7-thiophen-3-ylheptan-1-one.

Molecular Properties

Compound Name1-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7-thiophen-3-ylheptan-1-one
PubChem CID16736616
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name1-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7-thiophen-3-ylheptan-1-one
SMILESO=C(CCCCCCc1ccsc1)c1ncc(-c2ccccn2)o1
InChIInChI=1S/C19H20N2O2S/c22-17(9-4-2-1-3-7-15-10-12-24-14-15)19-21-13-18(23-19)16-8-5-6-11-20-16/h5-6,8,10-14H,1-4,7,9H2
InChIKeyBBFQYOOSPUJNBB-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 1-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7-thiophen-3-ylheptan-1-one?
The IUPAC name of 1-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7-thiophen-3-ylheptan-1-one (CID 16736616) is 1-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7-thiophen-3-ylheptan-1-one.
What is the SMILES notation for 1-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7-thiophen-3-ylheptan-1-one?
The canonical SMILES for 1-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7-thiophen-3-ylheptan-1-one is O=C(CCCCCCc1ccsc1)c1ncc(-c2ccccn2)o1.
What is the InChIKey of 1-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7-thiophen-3-ylheptan-1-one?
The InChIKey is BBFQYOOSPUJNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c22-17(9-4-2-1-3-7-15-10-12-24-14-15)19-21-13-18(23-19)16-8-5-6-11-20-16/h5-6,8,10-14H,1-4,7,9H2.
What are the key properties of 1-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7-thiophen-3-ylheptan-1-one?
1-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7-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 1-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7-thiophen-3-ylheptan-1-one is sourced from PubChem (CID 16736616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).