2-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

C25H31N5O4S — CID 46912844

IUPAC2-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESO=S1CCc2nc(N3CCC(Oc4ccc(C5=NCCO5)cc4)CC3)nc(NC3CCOCC3)c21
InChIInChI=1S/C25H31N5O4S/c31-35-16-9-21-22(35)23(27-18-7-13-32-14-8-18)29-25(28-21)30-11-5-20(6-12-30)34-19-3-1-17(2-4-19)24-26-10-15-33-24/h1-4,18,20H,5-16H2,(H,27,28,29)
InChIKeyFHCZYTNSDHGQAP-UHFFFAOYSA-N
MW497.62 g/mol
LogP2.56
Rot. Bonds6

About 2-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

2-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (PubChem CID 46912844) has the molecular formula C25H31N5O4S and a molecular weight of 497.62 g/mol. Its IUPAC name is 2-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
PubChem CID46912844
Molecular FormulaC25H31N5O4S
Molecular Weight497.62 g/mol
Exact Mass497.21
IUPAC Name2-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESO=S1CCc2nc(N3CCC(Oc4ccc(C5=NCCO5)cc4)CC3)nc(NC3CCOCC3)c21
InChIInChI=1S/C25H31N5O4S/c31-35-16-9-21-22(35)23(27-18-7-13-32-14-8-18)29-25(28-21)30-11-5-20(6-12-30)34-19-3-1-17(2-4-19)24-26-10-15-33-24/h1-4,18,20H,5-16H2,(H,27,28,29)
InChIKeyFHCZYTNSDHGQAP-UHFFFAOYSA-N
XLogP2.56
TPSA98.17 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.62
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (CID 46912844) is 2-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is O=S1CCc2nc(N3CCC(Oc4ccc(C5=NCCO5)cc4)CC3)nc(NC3CCOCC3)c21.
What is the InChIKey of 2-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The InChIKey is FHCZYTNSDHGQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O4S/c31-35-16-9-21-22(35)23(27-18-7-13-32-14-8-18)29-25(28-21)30-11-5-20(6-12-30)34-19-3-1-17(2-4-19)24-26-10-15-33-24/h1-4,18,20H,5-16H2,(H,27,28,29).
What are the key properties of 2-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
2-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine has a molecular weight of 497.62 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 46912844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).