5-hydroxy-1-methyl-2-(3-methyl-5-morpholin-4-ylphenyl)-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide

C20H21N5O5 — CID 146664796

IUPAC5-hydroxy-1-methyl-2-(3-methyl-5-morpholin-4-ylphenyl)-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
SMILESCc1cc(-c2nc(C(=O)Nc3cnoc3)c(O)c(=O)n2C)cc(N2CCOCC2)c1
InChIInChI=1S/C20H21N5O5/c1-12-7-13(9-15(8-12)25-3-5-29-6-4-25)18-23-16(17(26)20(28)24(18)2)19(27)22-14-10-21-30-11-14/h7-11,26H,3-6H2,1-2H3,(H,22,27)
InChIKeyXMUOAQANUCXQEN-UHFFFAOYSA-N
MW411.42 g/mol
LogP1.54
Rot. Bonds4

About 5-hydroxy-1-methyl-2-(3-methyl-5-morpholin-4-ylphenyl)-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide

5-hydroxy-1-methyl-2-(3-methyl-5-morpholin-4-ylphenyl)-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide (PubChem CID 146664796) has the molecular formula C20H21N5O5 and a molecular weight of 411.42 g/mol. Its IUPAC name is 5-hydroxy-1-methyl-2-(3-methyl-5-morpholin-4-ylphenyl)-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-hydroxy-1-methyl-2-(3-methyl-5-morpholin-4-ylphenyl)-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
PubChem CID146664796
Molecular FormulaC20H21N5O5
Molecular Weight411.42 g/mol
Exact Mass411.15
IUPAC Name5-hydroxy-1-methyl-2-(3-methyl-5-morpholin-4-ylphenyl)-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
SMILESCc1cc(-c2nc(C(=O)Nc3cnoc3)c(O)c(=O)n2C)cc(N2CCOCC2)c1
InChIInChI=1S/C20H21N5O5/c1-12-7-13(9-15(8-12)25-3-5-29-6-4-25)18-23-16(17(26)20(28)24(18)2)19(27)22-14-10-21-30-11-14/h7-11,26H,3-6H2,1-2H3,(H,22,27)
InChIKeyXMUOAQANUCXQEN-UHFFFAOYSA-N
XLogP1.54
TPSA122.72 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-methyl-2-(3-methyl-5-morpholin-4-ylphenyl)-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?
The IUPAC name of 5-hydroxy-1-methyl-2-(3-methyl-5-morpholin-4-ylphenyl)-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide (CID 146664796) is 5-hydroxy-1-methyl-2-(3-methyl-5-morpholin-4-ylphenyl)-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide.
What is the SMILES notation for 5-hydroxy-1-methyl-2-(3-methyl-5-morpholin-4-ylphenyl)-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?
The canonical SMILES for 5-hydroxy-1-methyl-2-(3-methyl-5-morpholin-4-ylphenyl)-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide is Cc1cc(-c2nc(C(=O)Nc3cnoc3)c(O)c(=O)n2C)cc(N2CCOCC2)c1.
What is the InChIKey of 5-hydroxy-1-methyl-2-(3-methyl-5-morpholin-4-ylphenyl)-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?
The InChIKey is XMUOAQANUCXQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O5/c1-12-7-13(9-15(8-12)25-3-5-29-6-4-25)18-23-16(17(26)20(28)24(18)2)19(27)22-14-10-21-30-11-14/h7-11,26H,3-6H2,1-2H3,(H,22,27).
What are the key properties of 5-hydroxy-1-methyl-2-(3-methyl-5-morpholin-4-ylphenyl)-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?
5-hydroxy-1-methyl-2-(3-methyl-5-morpholin-4-ylphenyl)-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide has a molecular weight of 411.42 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-methyl-2-(3-methyl-5-morpholin-4-ylphenyl)-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide is sourced from PubChem (CID 146664796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).