5-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-(4-methoxyphenyl)-1,2-oxazole

C19H17N3O3S — CID 73388399

IUPAC5-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-(4-methoxyphenyl)-1,2-oxazole
SMILESCCc1cc2c(OCc3cc(-c4ccc(OC)cc4)no3)ncnc2s1
InChIInChI=1S/C19H17N3O3S/c1-3-15-9-16-18(20-11-21-19(16)26-15)24-10-14-8-17(22-25-14)12-4-6-13(23-2)7-5-12/h4-9,11H,3,10H2,1-2H3
InChIKeyXMGOARFZLUMZSB-UHFFFAOYSA-N
MW367.43 g/mol
LogP4.50
Rot. Bonds6

About 5-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-(4-methoxyphenyl)-1,2-oxazole

5-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-(4-methoxyphenyl)-1,2-oxazole (PubChem CID 73388399) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is 5-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-(4-methoxyphenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-(4-methoxyphenyl)-1,2-oxazole
PubChem CID73388399
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name5-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-(4-methoxyphenyl)-1,2-oxazole
SMILESCCc1cc2c(OCc3cc(-c4ccc(OC)cc4)no3)ncnc2s1
InChIInChI=1S/C19H17N3O3S/c1-3-15-9-16-18(20-11-21-19(16)26-15)24-10-14-8-17(22-25-14)12-4-6-13(23-2)7-5-12/h4-9,11H,3,10H2,1-2H3
InChIKeyXMGOARFZLUMZSB-UHFFFAOYSA-N
XLogP4.50
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-(4-methoxyphenyl)-1,2-oxazole?
The IUPAC name of 5-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-(4-methoxyphenyl)-1,2-oxazole (CID 73388399) is 5-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-(4-methoxyphenyl)-1,2-oxazole.
What is the SMILES notation for 5-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-(4-methoxyphenyl)-1,2-oxazole?
The canonical SMILES for 5-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-(4-methoxyphenyl)-1,2-oxazole is CCc1cc2c(OCc3cc(-c4ccc(OC)cc4)no3)ncnc2s1.
What is the InChIKey of 5-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-(4-methoxyphenyl)-1,2-oxazole?
The InChIKey is XMGOARFZLUMZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-3-15-9-16-18(20-11-21-19(16)26-15)24-10-14-8-17(22-25-14)12-4-6-13(23-2)7-5-12/h4-9,11H,3,10H2,1-2H3.
What are the key properties of 5-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-(4-methoxyphenyl)-1,2-oxazole?
5-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-(4-methoxyphenyl)-1,2-oxazole has a molecular weight of 367.43 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-(4-methoxyphenyl)-1,2-oxazole is sourced from PubChem (CID 73388399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).