1-[4-(dimethylamino)phenyl]-2-[5-([1,3]oxazolo[4,5-c]pyridin-2-yl)thiophen-2-yl]ethanone

C20H17N3O2S — CID 58067410

IUPAC1-[4-(dimethylamino)phenyl]-2-[5-([1,3]oxazolo[4,5-c]pyridin-2-yl)thiophen-2-yl]ethanone
SMILESCN(C)c1ccc(C(=O)Cc2ccc(-c3nc4cnccc4o3)s2)cc1
InChIInChI=1S/C20H17N3O2S/c1-23(2)14-5-3-13(4-6-14)17(24)11-15-7-8-19(26-15)20-22-16-12-21-10-9-18(16)25-20/h3-10,12H,11H2,1-2H3
InChIKeyRDDMWBBNXFKZNF-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.44
Rot. Bonds5

About 1-[4-(dimethylamino)phenyl]-2-[5-([1,3]oxazolo[4,5-c]pyridin-2-yl)thiophen-2-yl]ethanone

1-[4-(dimethylamino)phenyl]-2-[5-([1,3]oxazolo[4,5-c]pyridin-2-yl)thiophen-2-yl]ethanone (PubChem CID 58067410) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-2-[5-([1,3]oxazolo[4,5-c]pyridin-2-yl)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-2-[5-([1,3]oxazolo[4,5-c]pyridin-2-yl)thiophen-2-yl]ethanone
PubChem CID58067410
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC Name1-[4-(dimethylamino)phenyl]-2-[5-([1,3]oxazolo[4,5-c]pyridin-2-yl)thiophen-2-yl]ethanone
SMILESCN(C)c1ccc(C(=O)Cc2ccc(-c3nc4cnccc4o3)s2)cc1
InChIInChI=1S/C20H17N3O2S/c1-23(2)14-5-3-13(4-6-14)17(24)11-15-7-8-19(26-15)20-22-16-12-21-10-9-18(16)25-20/h3-10,12H,11H2,1-2H3
InChIKeyRDDMWBBNXFKZNF-UHFFFAOYSA-N
XLogP4.44
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-2-[5-([1,3]oxazolo[4,5-c]pyridin-2-yl)thiophen-2-yl]ethanone?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-2-[5-([1,3]oxazolo[4,5-c]pyridin-2-yl)thiophen-2-yl]ethanone (CID 58067410) is 1-[4-(dimethylamino)phenyl]-2-[5-([1,3]oxazolo[4,5-c]pyridin-2-yl)thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-2-[5-([1,3]oxazolo[4,5-c]pyridin-2-yl)thiophen-2-yl]ethanone?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-2-[5-([1,3]oxazolo[4,5-c]pyridin-2-yl)thiophen-2-yl]ethanone is CN(C)c1ccc(C(=O)Cc2ccc(-c3nc4cnccc4o3)s2)cc1.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-2-[5-([1,3]oxazolo[4,5-c]pyridin-2-yl)thiophen-2-yl]ethanone?
The InChIKey is RDDMWBBNXFKZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-23(2)14-5-3-13(4-6-14)17(24)11-15-7-8-19(26-15)20-22-16-12-21-10-9-18(16)25-20/h3-10,12H,11H2,1-2H3.
What are the key properties of 1-[4-(dimethylamino)phenyl]-2-[5-([1,3]oxazolo[4,5-c]pyridin-2-yl)thiophen-2-yl]ethanone?
1-[4-(dimethylamino)phenyl]-2-[5-([1,3]oxazolo[4,5-c]pyridin-2-yl)thiophen-2-yl]ethanone has a molecular weight of 363.44 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]-2-[5-([1,3]oxazolo[4,5-c]pyridin-2-yl)thiophen-2-yl]ethanone is sourced from PubChem (CID 58067410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).