5-methyl-3-[[3-[5-(2-morpholin-4-yl-2-oxoethoxy)pyrimidin-2-yl]phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one

C24H23N5O5 — CID 58486049

IUPAC5-methyl-3-[[3-[5-(2-morpholin-4-yl-2-oxoethoxy)pyrimidin-2-yl]phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESCc1ccc2oc(=O)n(Cc3cccc(-c4ncc(OCC(=O)N5CCOCC5)cn4)c3)c2n1
InChIInChI=1S/C24H23N5O5/c1-16-5-6-20-23(27-16)29(24(31)34-20)14-17-3-2-4-18(11-17)22-25-12-19(13-26-22)33-15-21(30)28-7-9-32-10-8-28/h2-6,11-13H,7-10,14-15H2,1H3
InChIKeyLAHIUELPWSFIAZ-UHFFFAOYSA-N
MW461.48 g/mol
LogP2.04
Rot. Bonds6

About 5-methyl-3-[[3-[5-(2-morpholin-4-yl-2-oxoethoxy)pyrimidin-2-yl]phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one

5-methyl-3-[[3-[5-(2-morpholin-4-yl-2-oxoethoxy)pyrimidin-2-yl]phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 58486049) has the molecular formula C24H23N5O5 and a molecular weight of 461.48 g/mol. Its IUPAC name is 5-methyl-3-[[3-[5-(2-morpholin-4-yl-2-oxoethoxy)pyrimidin-2-yl]phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name5-methyl-3-[[3-[5-(2-morpholin-4-yl-2-oxoethoxy)pyrimidin-2-yl]phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
PubChem CID58486049
Molecular FormulaC24H23N5O5
Molecular Weight461.48 g/mol
Exact Mass461.17
IUPAC Name5-methyl-3-[[3-[5-(2-morpholin-4-yl-2-oxoethoxy)pyrimidin-2-yl]phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESCc1ccc2oc(=O)n(Cc3cccc(-c4ncc(OCC(=O)N5CCOCC5)cn4)c3)c2n1
InChIInChI=1S/C24H23N5O5/c1-16-5-6-20-23(27-16)29(24(31)34-20)14-17-3-2-4-18(11-17)22-25-12-19(13-26-22)33-15-21(30)28-7-9-32-10-8-28/h2-6,11-13H,7-10,14-15H2,1H3
InChIKeyLAHIUELPWSFIAZ-UHFFFAOYSA-N
XLogP2.04
TPSA112.58 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.48
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-methyl-3-[[3-[5-(2-morpholin-4-yl-2-oxoethoxy)pyrimidin-2-yl]phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one with MolForge

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Related Compounds

5-methyl-3-[[3-[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 58486104
5-methyl-3-[[3-[5-(1-methylpiperidin-3-yl)oxypyrimidin-2-yl]phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 58485975
butyl 4-[2-[3-[(5-methyl-2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)methyl]phenyl]pyrimidin-5-yl]piperazine-1-carboxylate
CID 86658767
tert-butyl [4-[2-[3-[(5-methyl-2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)methyl]phenyl]pyrimidin-5-yl]piperazin-1-yl] carbonate
CID 89370739
methyl 3-[[3-[5-[3-(dimethylamino)propoxy]pyrimidin-2-yl]phenyl]methyl]-2-oxo-[1,3]oxazolo[4,5-b]pyridine-5-carboxylate
CID 58486033
3-[[3-[5-[3-(dimethylamino)propoxy]pyrimidin-2-yl]phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 58485971
2-[3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-morpholin-4-ylethanone
CID 50754150
5-methyl-3-[[3-(5-methyl-2-oxopyrazin-1-yl)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 68765536
2-[3-[[3-[5-[3-(dimethylamino)propoxy]pyrimidin-2-yl]phenyl]methyl]-2-oxo-1,3-benzoxazol-5-yl]acetic acid
CID 58486061
3-[[3-[5-[3-(dimethylamino)propoxy]pyrimidin-2-yl]phenyl]methyl]-5-prop-1-en-2-yl-1,3-benzoxazol-2-one
CID 89013607
2-[3-(1-methylpyrazol-4-yl)phenoxy]-1-morpholin-4-ylethanone
CID 91027875
1-[[3-[5-(3-hydroxypropoxy)pyrimidin-2-yl]phenyl]methyl]-6-methyl-3H-pyrrolo[2,3-b]pyridin-2-one
CID 71228676

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[3-[5-(2-morpholin-4-yl-2-oxoethoxy)pyrimidin-2-yl]phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The IUPAC name of 5-methyl-3-[[3-[5-(2-morpholin-4-yl-2-oxoethoxy)pyrimidin-2-yl]phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 58486049) is 5-methyl-3-[[3-[5-(2-morpholin-4-yl-2-oxoethoxy)pyrimidin-2-yl]phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for 5-methyl-3-[[3-[5-(2-morpholin-4-yl-2-oxoethoxy)pyrimidin-2-yl]phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The canonical SMILES for 5-methyl-3-[[3-[5-(2-morpholin-4-yl-2-oxoethoxy)pyrimidin-2-yl]phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is Cc1ccc2oc(=O)n(Cc3cccc(-c4ncc(OCC(=O)N5CCOCC5)cn4)c3)c2n1.
What is the InChIKey of 5-methyl-3-[[3-[5-(2-morpholin-4-yl-2-oxoethoxy)pyrimidin-2-yl]phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The InChIKey is LAHIUELPWSFIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O5/c1-16-5-6-20-23(27-16)29(24(31)34-20)14-17-3-2-4-18(11-17)22-25-12-19(13-26-22)33-15-21(30)28-7-9-32-10-8-28/h2-6,11-13H,7-10,14-15H2,1H3.
What are the key properties of 5-methyl-3-[[3-[5-(2-morpholin-4-yl-2-oxoethoxy)pyrimidin-2-yl]phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
5-methyl-3-[[3-[5-(2-morpholin-4-yl-2-oxoethoxy)pyrimidin-2-yl]phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 461.48 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[3-[5-(2-morpholin-4-yl-2-oxoethoxy)pyrimidin-2-yl]phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 58486049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).