1-[5-[5-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]-1,2-oxazol-3-yl]-2-pyridinyl]pyridin-2-one

C20H14ClN3O3S — CID 157073973

IUPAC1-[5-[5-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]-1,2-oxazol-3-yl]-2-pyridinyl]pyridin-2-one
SMILESO=C(CCc1cc(-c2ccc(-n3ccccc3=O)nc2)no1)c1ccc(Cl)s1
InChIInChI=1S/C20H14ClN3O3S/c21-18-8-7-17(28-18)16(25)6-5-14-11-15(23-27-14)13-4-9-19(22-12-13)24-10-2-1-3-20(24)26/h1-4,7-12H,5-6H2
InChIKeyKVKKFDIKWSWMKP-UHFFFAOYSA-N
MW411.87 g/mol
LogP4.42
Rot. Bonds6

About 1-[5-[5-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]-1,2-oxazol-3-yl]-2-pyridinyl]pyridin-2-one

1-[5-[5-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]-1,2-oxazol-3-yl]-2-pyridinyl]pyridin-2-one (PubChem CID 157073973) has the molecular formula C20H14ClN3O3S and a molecular weight of 411.87 g/mol. Its IUPAC name is 1-[5-[5-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]-1,2-oxazol-3-yl]-2-pyridinyl]pyridin-2-one.

Molecular Properties

Compound Name1-[5-[5-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]-1,2-oxazol-3-yl]-2-pyridinyl]pyridin-2-one
PubChem CID157073973
Molecular FormulaC20H14ClN3O3S
Molecular Weight411.87 g/mol
Exact Mass411.04
IUPAC Name1-[5-[5-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]-1,2-oxazol-3-yl]-2-pyridinyl]pyridin-2-one
SMILESO=C(CCc1cc(-c2ccc(-n3ccccc3=O)nc2)no1)c1ccc(Cl)s1
InChIInChI=1S/C20H14ClN3O3S/c21-18-8-7-17(28-18)16(25)6-5-14-11-15(23-27-14)13-4-9-19(22-12-13)24-10-2-1-3-20(24)26/h1-4,7-12H,5-6H2
InChIKeyKVKKFDIKWSWMKP-UHFFFAOYSA-N
XLogP4.42
TPSA77.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.87
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[5-[5-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]-1,2-oxazol-3-yl]-2-pyridinyl]pyridin-2-one with MolForge

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Related Compounds

3-[5-[4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylthiophen-2-yl]-5-(trifluoromethyl)-1,2-oxazole
CID 2742794
[4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 55483809
(1-(5-(Thiophen-2-yl)isoxazol-3-yl)cyclopropyl)(4-(5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)methanone
CID 90502746
5-(4-fluorophenyl)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 139582893
1-[3-[5-(3-Methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 16669875
1-[4-[2-Methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 16670038
1-[4-[5-(3-Methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 16670122
1-[4-[2-Methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone
CID 16670129
1-[3-[2-Methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 16670298
N-(3-methyl-2-pyridinyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
CID 16879564
N-(5-chloropyridin-2-yl)-5-(thiophen-2-yl)-1,2-oxazole-3-carboxamide
CID 17013198
N-(5-chloro-2-pyridinyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
CID 20943611

Frequently Asked Questions

What is the IUPAC name of 1-[5-[5-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]-1,2-oxazol-3-yl]-2-pyridinyl]pyridin-2-one?
The IUPAC name of 1-[5-[5-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]-1,2-oxazol-3-yl]-2-pyridinyl]pyridin-2-one (CID 157073973) is 1-[5-[5-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]-1,2-oxazol-3-yl]-2-pyridinyl]pyridin-2-one.
What is the SMILES notation for 1-[5-[5-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]-1,2-oxazol-3-yl]-2-pyridinyl]pyridin-2-one?
The canonical SMILES for 1-[5-[5-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]-1,2-oxazol-3-yl]-2-pyridinyl]pyridin-2-one is O=C(CCc1cc(-c2ccc(-n3ccccc3=O)nc2)no1)c1ccc(Cl)s1.
What is the InChIKey of 1-[5-[5-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]-1,2-oxazol-3-yl]-2-pyridinyl]pyridin-2-one?
The InChIKey is KVKKFDIKWSWMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O3S/c21-18-8-7-17(28-18)16(25)6-5-14-11-15(23-27-14)13-4-9-19(22-12-13)24-10-2-1-3-20(24)26/h1-4,7-12H,5-6H2.
What are the key properties of 1-[5-[5-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]-1,2-oxazol-3-yl]-2-pyridinyl]pyridin-2-one?
1-[5-[5-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]-1,2-oxazol-3-yl]-2-pyridinyl]pyridin-2-one has a molecular weight of 411.87 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[5-[3-(5-chlorothiophen-2-yl)-3-oxopropyl]-1,2-oxazol-3-yl]-2-pyridinyl]pyridin-2-one is sourced from PubChem (CID 157073973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).