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

C19H14F3N3O2S — CID 73441977

IUPAC5-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole
SMILESCCc1cc2c(OCc3cc(-c4ccc(C(F)(F)F)cc4)no3)ncnc2s1
InChIInChI=1S/C19H14F3N3O2S/c1-2-14-8-15-17(23-10-24-18(15)28-14)26-9-13-7-16(25-27-13)11-3-5-12(6-4-11)19(20,21)22/h3-8,10H,2,9H2,1H3
InChIKeyIWMHSCJCNJNGFD-UHFFFAOYSA-N
MW405.40 g/mol
LogP5.51
Rot. Bonds5

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

5-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole (PubChem CID 73441977) has the molecular formula C19H14F3N3O2S and a molecular weight of 405.40 g/mol. Its IUPAC name is 5-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole.

Molecular Properties

Compound Name5-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole
PubChem CID73441977
Molecular FormulaC19H14F3N3O2S
Molecular Weight405.40 g/mol
Exact Mass405.08
IUPAC Name5-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole
SMILESCCc1cc2c(OCc3cc(-c4ccc(C(F)(F)F)cc4)no3)ncnc2s1
InChIInChI=1S/C19H14F3N3O2S/c1-2-14-8-15-17(23-10-24-18(15)28-14)26-9-13-7-16(25-27-13)11-3-5-12(6-4-11)19(20,21)22/h3-8,10H,2,9H2,1H3
InChIKeyIWMHSCJCNJNGFD-UHFFFAOYSA-N
XLogP5.51
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.40
LogP ≤ 55.51
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-(trifluoromethyl)phenyl]-1,2-oxazole?
The IUPAC name of 5-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole (CID 73441977) is 5-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole.
What is the SMILES notation for 5-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole?
The canonical SMILES for 5-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole is CCc1cc2c(OCc3cc(-c4ccc(C(F)(F)F)cc4)no3)ncnc2s1.
What is the InChIKey of 5-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole?
The InChIKey is IWMHSCJCNJNGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O2S/c1-2-14-8-15-17(23-10-24-18(15)28-14)26-9-13-7-16(25-27-13)11-3-5-12(6-4-11)19(20,21)22/h3-8,10H,2,9H2,1H3.
What are the key properties of 5-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole?
5-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole has a molecular weight of 405.40 g/mol, XLogP of 5.51, 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-(trifluoromethyl)phenyl]-1,2-oxazole is sourced from PubChem (CID 73441977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).