(3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate

C20H24N4O3S — CID 7561304

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate
SMILESCc1noc(C)c1COC(=O)C1CCN(c2ncnc3sc(C)c(C)c23)CC1
InChIInChI=1S/C20H24N4O3S/c1-11-14(4)28-19-17(11)18(21-10-22-19)24-7-5-15(6-8-24)20(25)26-9-16-12(2)23-27-13(16)3/h10,15H,5-9H2,1-4H3
InChIKeyZRTWRQHBKZEHES-UHFFFAOYSA-N
MW400.50 g/mol
LogP3.87
Rot. Bonds4

About (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate

(3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate (PubChem CID 7561304) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate
PubChem CID7561304
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate
SMILESCc1noc(C)c1COC(=O)C1CCN(c2ncnc3sc(C)c(C)c23)CC1
InChIInChI=1S/C20H24N4O3S/c1-11-14(4)28-19-17(11)18(21-10-22-19)24-7-5-15(6-8-24)20(25)26-9-16-12(2)23-27-13(16)3/h10,15H,5-9H2,1-4H3
InChIKeyZRTWRQHBKZEHES-UHFFFAOYSA-N
XLogP3.87
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate (CID 7561304) is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate is Cc1noc(C)c1COC(=O)C1CCN(c2ncnc3sc(C)c(C)c23)CC1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate?
The InChIKey is ZRTWRQHBKZEHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S/c1-11-14(4)28-19-17(11)18(21-10-22-19)24-7-5-15(6-8-24)20(25)26-9-16-12(2)23-27-13(16)3/h10,15H,5-9H2,1-4H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate?
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate has a molecular weight of 400.50 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate is sourced from PubChem (CID 7561304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).