3-[3-(6-chloro-3-pyridinyl)-1,2-oxazol-5-yl]-1-(5-chlorothiophen-2-yl)propan-1-one

C15H10Cl2N2O2S — CID 157073972

IUPAC3-[3-(6-chloro-3-pyridinyl)-1,2-oxazol-5-yl]-1-(5-chlorothiophen-2-yl)propan-1-one
SMILESO=C(CCc1cc(-c2ccc(Cl)nc2)no1)c1ccc(Cl)s1
InChIInChI=1S/C15H10Cl2N2O2S/c16-14-5-1-9(8-18-14)11-7-10(21-19-11)2-3-12(20)13-4-6-15(17)22-13/h1,4-8H,2-3H2
InChIKeyNSWGWHUWOYNPBV-UHFFFAOYSA-N
MW353.23 g/mol
LogP4.92
Rot. Bonds5

About 3-[3-(6-chloro-3-pyridinyl)-1,2-oxazol-5-yl]-1-(5-chlorothiophen-2-yl)propan-1-one

3-[3-(6-chloro-3-pyridinyl)-1,2-oxazol-5-yl]-1-(5-chlorothiophen-2-yl)propan-1-one (PubChem CID 157073972) has the molecular formula C15H10Cl2N2O2S and a molecular weight of 353.23 g/mol. Its IUPAC name is 3-[3-(6-chloro-3-pyridinyl)-1,2-oxazol-5-yl]-1-(5-chlorothiophen-2-yl)propan-1-one.

Molecular Properties

Compound Name3-[3-(6-chloro-3-pyridinyl)-1,2-oxazol-5-yl]-1-(5-chlorothiophen-2-yl)propan-1-one
PubChem CID157073972
Molecular FormulaC15H10Cl2N2O2S
Molecular Weight353.23 g/mol
Exact Mass351.98
IUPAC Name3-[3-(6-chloro-3-pyridinyl)-1,2-oxazol-5-yl]-1-(5-chlorothiophen-2-yl)propan-1-one
SMILESO=C(CCc1cc(-c2ccc(Cl)nc2)no1)c1ccc(Cl)s1
InChIInChI=1S/C15H10Cl2N2O2S/c16-14-5-1-9(8-18-14)11-7-10(21-19-11)2-3-12(20)13-4-6-15(17)22-13/h1,4-8H,2-3H2
InChIKeyNSWGWHUWOYNPBV-UHFFFAOYSA-N
XLogP4.92
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.23
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(6-chloro-3-pyridinyl)-1,2-oxazol-5-yl]-1-(5-chlorothiophen-2-yl)propan-1-one?
The IUPAC name of 3-[3-(6-chloro-3-pyridinyl)-1,2-oxazol-5-yl]-1-(5-chlorothiophen-2-yl)propan-1-one (CID 157073972) is 3-[3-(6-chloro-3-pyridinyl)-1,2-oxazol-5-yl]-1-(5-chlorothiophen-2-yl)propan-1-one.
What is the SMILES notation for 3-[3-(6-chloro-3-pyridinyl)-1,2-oxazol-5-yl]-1-(5-chlorothiophen-2-yl)propan-1-one?
The canonical SMILES for 3-[3-(6-chloro-3-pyridinyl)-1,2-oxazol-5-yl]-1-(5-chlorothiophen-2-yl)propan-1-one is O=C(CCc1cc(-c2ccc(Cl)nc2)no1)c1ccc(Cl)s1.
What is the InChIKey of 3-[3-(6-chloro-3-pyridinyl)-1,2-oxazol-5-yl]-1-(5-chlorothiophen-2-yl)propan-1-one?
The InChIKey is NSWGWHUWOYNPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O2S/c16-14-5-1-9(8-18-14)11-7-10(21-19-11)2-3-12(20)13-4-6-15(17)22-13/h1,4-8H,2-3H2.
What are the key properties of 3-[3-(6-chloro-3-pyridinyl)-1,2-oxazol-5-yl]-1-(5-chlorothiophen-2-yl)propan-1-one?
3-[3-(6-chloro-3-pyridinyl)-1,2-oxazol-5-yl]-1-(5-chlorothiophen-2-yl)propan-1-one has a molecular weight of 353.23 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(6-chloro-3-pyridinyl)-1,2-oxazol-5-yl]-1-(5-chlorothiophen-2-yl)propan-1-one is sourced from PubChem (CID 157073972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).