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

C17H12ClN3O2S — CID 73442443

IUPAC3-(4-chlorophenyl)-5-[(6-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-1,2-oxazole
SMILESCc1cc2c(OCc3cc(-c4ccc(Cl)cc4)no3)ncnc2s1
InChIInChI=1S/C17H12ClN3O2S/c1-10-6-14-16(19-9-20-17(14)24-10)22-8-13-7-15(21-23-13)11-2-4-12(18)5-3-11/h2-7,9H,8H2,1H3
InChIKeyWUKNDFJKVRCILP-UHFFFAOYSA-N
MW357.82 g/mol
LogP4.89
Rot. Bonds4

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

3-(4-chlorophenyl)-5-[(6-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-1,2-oxazole (PubChem CID 73442443) has the molecular formula C17H12ClN3O2S and a molecular weight of 357.82 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-[(6-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-1,2-oxazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-[(6-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-1,2-oxazole
PubChem CID73442443
Molecular FormulaC17H12ClN3O2S
Molecular Weight357.82 g/mol
Exact Mass357.03
IUPAC Name3-(4-chlorophenyl)-5-[(6-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-1,2-oxazole
SMILESCc1cc2c(OCc3cc(-c4ccc(Cl)cc4)no3)ncnc2s1
InChIInChI=1S/C17H12ClN3O2S/c1-10-6-14-16(19-9-20-17(14)24-10)22-8-13-7-15(21-23-13)11-2-4-12(18)5-3-11/h2-7,9H,8H2,1H3
InChIKeyWUKNDFJKVRCILP-UHFFFAOYSA-N
XLogP4.89
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.82
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-[(6-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-1,2-oxazole?
The IUPAC name of 3-(4-chlorophenyl)-5-[(6-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-1,2-oxazole (CID 73442443) is 3-(4-chlorophenyl)-5-[(6-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-1,2-oxazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-[(6-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-1,2-oxazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-[(6-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-1,2-oxazole is Cc1cc2c(OCc3cc(-c4ccc(Cl)cc4)no3)ncnc2s1.
What is the InChIKey of 3-(4-chlorophenyl)-5-[(6-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-1,2-oxazole?
The InChIKey is WUKNDFJKVRCILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O2S/c1-10-6-14-16(19-9-20-17(14)24-10)22-8-13-7-15(21-23-13)11-2-4-12(18)5-3-11/h2-7,9H,8H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-5-[(6-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-1,2-oxazole?
3-(4-chlorophenyl)-5-[(6-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-1,2-oxazole has a molecular weight of 357.82 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-[(6-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-1,2-oxazole is sourced from PubChem (CID 73442443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).