7-[[(2R)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C20H20N4O4S — CID 9155350

IUPAC7-[[(2R)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C([C@H]1CN(Cc2cc(=O)n3ccsc3n2)c2ccccc2O1)N1CCOCC1
InChIInChI=1S/C20H20N4O4S/c25-18-11-14(21-20-24(18)7-10-29-20)12-23-13-17(19(26)22-5-8-27-9-6-22)28-16-4-2-1-3-15(16)23/h1-4,7,10-11,17H,5-6,8-9,12-13H2/t17-/m1/s1
InChIKeyGCHGWRUEYOHVTN-QGZVFWFLSA-N
MW412.47 g/mol
LogP1.38
Rot. Bonds3

About 7-[[(2R)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[(2R)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 9155350) has the molecular formula C20H20N4O4S and a molecular weight of 412.47 g/mol. Its IUPAC name is 7-[[(2R)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[(2R)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID9155350
Molecular FormulaC20H20N4O4S
Molecular Weight412.47 g/mol
Exact Mass412.12
IUPAC Name7-[[(2R)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C([C@H]1CN(Cc2cc(=O)n3ccsc3n2)c2ccccc2O1)N1CCOCC1
InChIInChI=1S/C20H20N4O4S/c25-18-11-14(21-20-24(18)7-10-29-20)12-23-13-17(19(26)22-5-8-27-9-6-22)28-16-4-2-1-3-15(16)23/h1-4,7,10-11,17H,5-6,8-9,12-13H2/t17-/m1/s1
InChIKeyGCHGWRUEYOHVTN-QGZVFWFLSA-N
XLogP1.38
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[[(2R)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[(2R)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 9155350) is 7-[[(2R)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[(2R)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[(2R)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=C([C@H]1CN(Cc2cc(=O)n3ccsc3n2)c2ccccc2O1)N1CCOCC1.
What is the InChIKey of 7-[[(2R)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is GCHGWRUEYOHVTN-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H20N4O4S/c25-18-11-14(21-20-24(18)7-10-29-20)12-23-13-17(19(26)22-5-8-27-9-6-22)28-16-4-2-1-3-15(16)23/h1-4,7,10-11,17H,5-6,8-9,12-13H2/t17-/m1/s1.
What are the key properties of 7-[[(2R)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[(2R)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 412.47 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(2R)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 9155350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).