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

C18H15N3O2S — CID 73442440

IUPAC3-(4-methylphenyl)-5-[(6-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-1,2-oxazole
SMILESCc1ccc(-c2cc(COc3ncnc4sc(C)cc34)on2)cc1
InChIInChI=1S/C18H15N3O2S/c1-11-3-5-13(6-4-11)16-8-14(23-21-16)9-22-17-15-7-12(2)24-18(15)20-10-19-17/h3-8,10H,9H2,1-2H3
InChIKeyOKCKYEAGVSSGGA-UHFFFAOYSA-N
MW337.40 g/mol
LogP4.54
Rot. Bonds4

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

3-(4-methylphenyl)-5-[(6-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-1,2-oxazole (PubChem CID 73442440) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is 3-(4-methylphenyl)-5-[(6-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-1,2-oxazole.

Molecular Properties

Compound Name3-(4-methylphenyl)-5-[(6-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-1,2-oxazole
PubChem CID73442440
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC Name3-(4-methylphenyl)-5-[(6-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-1,2-oxazole
SMILESCc1ccc(-c2cc(COc3ncnc4sc(C)cc34)on2)cc1
InChIInChI=1S/C18H15N3O2S/c1-11-3-5-13(6-4-11)16-8-14(23-21-16)9-22-17-15-7-12(2)24-18(15)20-10-19-17/h3-8,10H,9H2,1-2H3
InChIKeyOKCKYEAGVSSGGA-UHFFFAOYSA-N
XLogP4.54
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-5-[(6-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-1,2-oxazole?
The IUPAC name of 3-(4-methylphenyl)-5-[(6-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-1,2-oxazole (CID 73442440) is 3-(4-methylphenyl)-5-[(6-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-1,2-oxazole.
What is the SMILES notation for 3-(4-methylphenyl)-5-[(6-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-1,2-oxazole?
The canonical SMILES for 3-(4-methylphenyl)-5-[(6-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-1,2-oxazole is Cc1ccc(-c2cc(COc3ncnc4sc(C)cc34)on2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-5-[(6-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-1,2-oxazole?
The InChIKey is OKCKYEAGVSSGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S/c1-11-3-5-13(6-4-11)16-8-14(23-21-16)9-22-17-15-7-12(2)24-18(15)20-10-19-17/h3-8,10H,9H2,1-2H3.
What are the key properties of 3-(4-methylphenyl)-5-[(6-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-1,2-oxazole?
3-(4-methylphenyl)-5-[(6-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-1,2-oxazole has a molecular weight of 337.40 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-5-[(6-methylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]-1,2-oxazole is sourced from PubChem (CID 73442440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).