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

C20H16N2O4S — CID 58067411

IUPAC1-(3,4-dimethoxyphenyl)-2-[5-([1,3]oxazolo[4,5-c]pyridin-2-yl)thiophen-2-yl]ethanone
SMILESCOc1ccc(C(=O)Cc2ccc(-c3nc4cnccc4o3)s2)cc1OC
InChIInChI=1S/C20H16N2O4S/c1-24-17-5-3-12(9-18(17)25-2)15(23)10-13-4-6-19(27-13)20-22-14-11-21-8-7-16(14)26-20/h3-9,11H,10H2,1-2H3
InChIKeyOZPRAZURFIZCCE-UHFFFAOYSA-N
MW380.43 g/mol
LogP4.39
Rot. Bonds6

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

1-(3,4-dimethoxyphenyl)-2-[5-([1,3]oxazolo[4,5-c]pyridin-2-yl)thiophen-2-yl]ethanone (PubChem CID 58067411) has the molecular formula C20H16N2O4S and a molecular weight of 380.43 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-[5-([1,3]oxazolo[4,5-c]pyridin-2-yl)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-[5-([1,3]oxazolo[4,5-c]pyridin-2-yl)thiophen-2-yl]ethanone
PubChem CID58067411
Molecular FormulaC20H16N2O4S
Molecular Weight380.43 g/mol
Exact Mass380.08
IUPAC Name1-(3,4-dimethoxyphenyl)-2-[5-([1,3]oxazolo[4,5-c]pyridin-2-yl)thiophen-2-yl]ethanone
SMILESCOc1ccc(C(=O)Cc2ccc(-c3nc4cnccc4o3)s2)cc1OC
InChIInChI=1S/C20H16N2O4S/c1-24-17-5-3-12(9-18(17)25-2)15(23)10-13-4-6-19(27-13)20-22-14-11-21-8-7-16(14)26-20/h3-9,11H,10H2,1-2H3
InChIKeyOZPRAZURFIZCCE-UHFFFAOYSA-N
XLogP4.39
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-(1,3-Benzothiazol-2-ylsulfanyl)-2-pyridin-3-yl-4-(2,3,4-trimethoxyphenyl)-1,3-oxazole
CID 44245076
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CID 171349088
7-(3,4-Dimethoxyphenyl)-3-methyl-5-thiophen-2-yl-[1,2]oxazolo[4,5-b]pyridine
CID 134806311
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CID 148172988
(2E)-2-(1,3-benzoxazol-2-yl)-1-(3,4-dimethoxyphenyl)-3-(pyridin-4-yl)prop-2-en-1-one
CID 16417876
(2E)-2-(1,3-benzoxazol-2-yl)-1-(3,4-dimethoxyphenyl)-3-(pyridin-2-yl)prop-2-en-1-one
CID 16423182
1-(8-methoxy-5-quinolinyl)-N-methyl-N-{[5-methyl-2-(5-methyl-2-thienyl)-1,3-oxazol-4-yl]methyl}methanamine
CID 25378808
1,3-Benzodioxol-5-yl(1-{[5-methyl-2-(2-thienyl)-1,3-oxazol-4-yl]methyl}-3-piperidinyl)methanone
CID 45220223
2-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)-[1,3]oxazolo[4,5-c]pyridine
CID 9797233
3,4-dimethoxy-N-(3-(oxazolo[4,5-c]pyridin-2-yl)phenyl)benzamide
CID 16037735
3-[(4-Methylcyclohexanecarbonyl)-propan-2-ylamino]-5-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]thiophene-2-carboxylic acid
CID 23627898
[3-Methoxy-6-(4-methoxyphenyl)furo[2,3-b]pyrazin-7-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 24959436

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-[5-([1,3]oxazolo[4,5-c]pyridin-2-yl)thiophen-2-yl]ethanone?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-[5-([1,3]oxazolo[4,5-c]pyridin-2-yl)thiophen-2-yl]ethanone (CID 58067411) is 1-(3,4-dimethoxyphenyl)-2-[5-([1,3]oxazolo[4,5-c]pyridin-2-yl)thiophen-2-yl]ethanone.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-[5-([1,3]oxazolo[4,5-c]pyridin-2-yl)thiophen-2-yl]ethanone?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-[5-([1,3]oxazolo[4,5-c]pyridin-2-yl)thiophen-2-yl]ethanone is COc1ccc(C(=O)Cc2ccc(-c3nc4cnccc4o3)s2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-[5-([1,3]oxazolo[4,5-c]pyridin-2-yl)thiophen-2-yl]ethanone?
The InChIKey is OZPRAZURFIZCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4S/c1-24-17-5-3-12(9-18(17)25-2)15(23)10-13-4-6-19(27-13)20-22-14-11-21-8-7-16(14)26-20/h3-9,11H,10H2,1-2H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-[5-([1,3]oxazolo[4,5-c]pyridin-2-yl)thiophen-2-yl]ethanone?
1-(3,4-dimethoxyphenyl)-2-[5-([1,3]oxazolo[4,5-c]pyridin-2-yl)thiophen-2-yl]ethanone has a molecular weight of 380.43 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2-[5-([1,3]oxazolo[4,5-c]pyridin-2-yl)thiophen-2-yl]ethanone is sourced from PubChem (CID 58067411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).