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

C18H14FN3O2S — CID 73441927

IUPAC5-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-(4-fluorophenyl)-1,2-oxazole
SMILESCCc1cc2c(OCc3cc(-c4ccc(F)cc4)no3)ncnc2s1
InChIInChI=1S/C18H14FN3O2S/c1-2-14-8-15-17(20-10-21-18(15)25-14)23-9-13-7-16(22-24-13)11-3-5-12(19)6-4-11/h3-8,10H,2,9H2,1H3
InChIKeyAMTWGRLZBYHESC-UHFFFAOYSA-N
MW355.39 g/mol
LogP4.63
Rot. Bonds5

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

5-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-(4-fluorophenyl)-1,2-oxazole (PubChem CID 73441927) has the molecular formula C18H14FN3O2S and a molecular weight of 355.39 g/mol. Its IUPAC name is 5-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-(4-fluorophenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-(4-fluorophenyl)-1,2-oxazole
PubChem CID73441927
Molecular FormulaC18H14FN3O2S
Molecular Weight355.39 g/mol
Exact Mass355.08
IUPAC Name5-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-(4-fluorophenyl)-1,2-oxazole
SMILESCCc1cc2c(OCc3cc(-c4ccc(F)cc4)no3)ncnc2s1
InChIInChI=1S/C18H14FN3O2S/c1-2-14-8-15-17(20-10-21-18(15)25-14)23-9-13-7-16(22-24-13)11-3-5-12(19)6-4-11/h3-8,10H,2,9H2,1H3
InChIKeyAMTWGRLZBYHESC-UHFFFAOYSA-N
XLogP4.63
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-fluorophenyl)-1,2-oxazole?
The IUPAC name of 5-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-(4-fluorophenyl)-1,2-oxazole (CID 73441927) is 5-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-(4-fluorophenyl)-1,2-oxazole.
What is the SMILES notation for 5-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-(4-fluorophenyl)-1,2-oxazole?
The canonical SMILES for 5-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-(4-fluorophenyl)-1,2-oxazole is CCc1cc2c(OCc3cc(-c4ccc(F)cc4)no3)ncnc2s1.
What is the InChIKey of 5-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-(4-fluorophenyl)-1,2-oxazole?
The InChIKey is AMTWGRLZBYHESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O2S/c1-2-14-8-15-17(20-10-21-18(15)25-14)23-9-13-7-16(22-24-13)11-3-5-12(19)6-4-11/h3-8,10H,2,9H2,1H3.
What are the key properties of 5-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-(4-fluorophenyl)-1,2-oxazole?
5-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-(4-fluorophenyl)-1,2-oxazole has a molecular weight of 355.39 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-(4-fluorophenyl)-1,2-oxazole is sourced from PubChem (CID 73441927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).