5-thieno[2,3-d]pyrimidin-6-yl-3-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole

C16H10F3N3O2S — CID 155515470

IUPAC5-thieno[2,3-d]pyrimidin-6-yl-3-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole
SMILESFC(F)(F)Oc1ccc(C2=NOC(c3cc4cncnc4s3)C2)cc1
InChIInChI=1S/C16H10F3N3O2S/c17-16(18,19)23-11-3-1-9(2-4-11)12-6-13(24-22-12)14-5-10-7-20-8-21-15(10)25-14/h1-5,7-8,13H,6H2
InChIKeyZRQYMQSBVPLCRC-UHFFFAOYSA-N
MW365.34 g/mol
LogP4.46
Rot. Bonds3

About 5-thieno[2,3-d]pyrimidin-6-yl-3-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole

5-thieno[2,3-d]pyrimidin-6-yl-3-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole (PubChem CID 155515470) has the molecular formula C16H10F3N3O2S and a molecular weight of 365.34 g/mol. Its IUPAC name is 5-thieno[2,3-d]pyrimidin-6-yl-3-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-thieno[2,3-d]pyrimidin-6-yl-3-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole
PubChem CID155515470
Molecular FormulaC16H10F3N3O2S
Molecular Weight365.34 g/mol
Exact Mass365.04
IUPAC Name5-thieno[2,3-d]pyrimidin-6-yl-3-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole
SMILESFC(F)(F)Oc1ccc(C2=NOC(c3cc4cncnc4s3)C2)cc1
InChIInChI=1S/C16H10F3N3O2S/c17-16(18,19)23-11-3-1-9(2-4-11)12-6-13(24-22-12)14-5-10-7-20-8-21-15(10)25-14/h1-5,7-8,13H,6H2
InChIKeyZRQYMQSBVPLCRC-UHFFFAOYSA-N
XLogP4.46
TPSA56.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-thieno[2,3-d]pyrimidin-6-yl-3-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-thieno[2,3-d]pyrimidin-6-yl-3-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole (CID 155515470) is 5-thieno[2,3-d]pyrimidin-6-yl-3-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-thieno[2,3-d]pyrimidin-6-yl-3-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-thieno[2,3-d]pyrimidin-6-yl-3-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole is FC(F)(F)Oc1ccc(C2=NOC(c3cc4cncnc4s3)C2)cc1.
What is the InChIKey of 5-thieno[2,3-d]pyrimidin-6-yl-3-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole?
The InChIKey is ZRQYMQSBVPLCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N3O2S/c17-16(18,19)23-11-3-1-9(2-4-11)12-6-13(24-22-12)14-5-10-7-20-8-21-15(10)25-14/h1-5,7-8,13H,6H2.
What are the key properties of 5-thieno[2,3-d]pyrimidin-6-yl-3-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole?
5-thieno[2,3-d]pyrimidin-6-yl-3-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole has a molecular weight of 365.34 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thieno[2,3-d]pyrimidin-6-yl-3-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 155515470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).