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

C18H12F3N3O2S — CID 73442497

IUPAC5-[(6-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole
SMILESCc1cc2c(OCc3cc(-c4ccc(C(F)(F)F)cc4)no3)ncnc2s1
InChIInChI=1S/C18H12F3N3O2S/c1-10-6-14-16(22-9-23-17(14)27-10)25-8-13-7-15(24-26-13)11-2-4-12(5-3-11)18(19,20)21/h2-7,9H,8H2,1H3
InChIKeyNYIVQYXHFCXFIV-UHFFFAOYSA-N
MW391.37 g/mol
LogP5.25
Rot. Bonds4

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

5-[(6-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole (PubChem CID 73442497) has the molecular formula C18H12F3N3O2S and a molecular weight of 391.37 g/mol. Its IUPAC name is 5-[(6-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole.

Molecular Properties

Compound Name5-[(6-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole
PubChem CID73442497
Molecular FormulaC18H12F3N3O2S
Molecular Weight391.37 g/mol
Exact Mass391.06
IUPAC Name5-[(6-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole
SMILESCc1cc2c(OCc3cc(-c4ccc(C(F)(F)F)cc4)no3)ncnc2s1
InChIInChI=1S/C18H12F3N3O2S/c1-10-6-14-16(22-9-23-17(14)27-10)25-8-13-7-15(24-26-13)11-2-4-12(5-3-11)18(19,20)21/h2-7,9H,8H2,1H3
InChIKeyNYIVQYXHFCXFIV-UHFFFAOYSA-N
XLogP5.25
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.37
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(6-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole?
The IUPAC name of 5-[(6-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole (CID 73442497) is 5-[(6-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole.
What is the SMILES notation for 5-[(6-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole?
The canonical SMILES for 5-[(6-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole is Cc1cc2c(OCc3cc(-c4ccc(C(F)(F)F)cc4)no3)ncnc2s1.
What is the InChIKey of 5-[(6-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole?
The InChIKey is NYIVQYXHFCXFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3O2S/c1-10-6-14-16(22-9-23-17(14)27-10)25-8-13-7-15(24-26-13)11-2-4-12(5-3-11)18(19,20)21/h2-7,9H,8H2,1H3.
What are the key properties of 5-[(6-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole?
5-[(6-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole has a molecular weight of 391.37 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole is sourced from PubChem (CID 73442497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).