3-hydroxy-2-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one

C22H21N5O4 — CID 136597975

IUPAC3-hydroxy-2-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc(Cc2nc(-c3nc4ccc(N5CCOCC5)cn4c(=O)c3O)no2)cc1
InChIInChI=1S/C22H21N5O4/c1-14-2-4-15(5-3-14)12-18-24-21(25-31-18)19-20(28)22(29)27-13-16(6-7-17(27)23-19)26-8-10-30-11-9-26/h2-7,13,28H,8-12H2,1H3
InChIKeyKNXKIQRFWRXNNG-UHFFFAOYSA-N
MW419.44 g/mol
LogP2.19
Rot. Bonds4

About 3-hydroxy-2-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one

3-hydroxy-2-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 136597975) has the molecular formula C22H21N5O4 and a molecular weight of 419.44 g/mol. Its IUPAC name is 3-hydroxy-2-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-hydroxy-2-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID136597975
Molecular FormulaC22H21N5O4
Molecular Weight419.44 g/mol
Exact Mass419.16
IUPAC Name3-hydroxy-2-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc(Cc2nc(-c3nc4ccc(N5CCOCC5)cn4c(=O)c3O)no2)cc1
InChIInChI=1S/C22H21N5O4/c1-14-2-4-15(5-3-14)12-18-24-21(25-31-18)19-20(28)22(29)27-13-16(6-7-17(27)23-19)26-8-10-30-11-9-26/h2-7,13,28H,8-12H2,1H3
InChIKeyKNXKIQRFWRXNNG-UHFFFAOYSA-N
XLogP2.19
TPSA105.99 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[(4-fluorophenyl)methyl]-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 54732406
3-hydroxy-9-(methylamino)-2-[5-[(4-methylphenyl)methyl]-1H-imidazol-2-yl]-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 136630995
3-hydroxy-7-morpholin-4-yl-2-(3-phenylpropanoyl)pyrido[1,2-a]pyrimidin-4-one
CID 58101140
2-[3-(3,4-dichlorophenyl)propanoyl]-3-hydroxy-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 58101074
5-fluoro-2-[[2-(3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]-N-methylbenzamide
CID 135911588
4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]morpholine
CID 50769427
5-[(4-fluorophenyl)methyl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole
CID 50769641
N-[[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
CID 46296149
16-(4-methylphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71419396
4-[4-[5-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]morpholine
CID 50769553
N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-4-carboxamide
CID 6485256
[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 31695976

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-hydroxy-2-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one (CID 136597975) is 3-hydroxy-2-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-hydroxy-2-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-hydroxy-2-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one is Cc1ccc(Cc2nc(-c3nc4ccc(N5CCOCC5)cn4c(=O)c3O)no2)cc1.
What is the InChIKey of 3-hydroxy-2-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is KNXKIQRFWRXNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O4/c1-14-2-4-15(5-3-14)12-18-24-21(25-31-18)19-20(28)22(29)27-13-16(6-7-17(27)23-19)26-8-10-30-11-9-26/h2-7,13,28H,8-12H2,1H3.
What are the key properties of 3-hydroxy-2-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
3-hydroxy-2-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 419.44 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 136597975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).