2-[4-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-3-olate

C22H20FN4O4- — CID 58101167

IUPAC2-[4-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-3-olate
SMILESO=c1c([O-])c(C2=NC(Cc3ccc(F)cc3)CO2)nc2ccc(N3CCOCC3)cn12
InChIInChI=1S/C22H21FN4O4/c23-15-3-1-14(2-4-15)11-16-13-31-21(24-16)19-20(28)22(29)27-12-17(5-6-18(27)25-19)26-7-9-30-10-8-26/h1-6,12,16,28H,7-11,13H2/p-1
InChIKeyPIBAZQLLAKQFKH-UHFFFAOYSA-M
MW423.42 g/mol
LogP1.13
Rot. Bonds4

About 2-[4-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-3-olate

2-[4-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-3-olate (PubChem CID 58101167) has the molecular formula C22H20FN4O4- and a molecular weight of 423.42 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-3-olate.

Molecular Properties

Compound Name2-[4-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-3-olate
PubChem CID58101167
Molecular FormulaC22H20FN4O4-
Molecular Weight423.42 g/mol
Exact Mass423.15
IUPAC Name2-[4-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-3-olate
SMILESO=c1c([O-])c(C2=NC(Cc3ccc(F)cc3)CO2)nc2ccc(N3CCOCC3)cn12
InChIInChI=1S/C22H21FN4O4/c23-15-3-1-14(2-4-15)11-16-13-31-21(24-16)19-20(28)22(29)27-12-17(5-6-18(27)25-19)26-7-9-30-10-8-26/h1-6,12,16,28H,7-11,13H2/p-1
InChIKeyPIBAZQLLAKQFKH-UHFFFAOYSA-M
XLogP1.13
TPSA91.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.42
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[2-[4-[(4-Fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-3-yl] methanesulfonate
CID 58101045
2-[4-[(4-Fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]-7-(morpholin-4-ylmethyl)-4-oxopyrido[1,2-a]pyrimidin-3-olate
CID 58101047
[(E)-[1-amino-2-(4-fluorophenyl)ethylidene]amino] 7-morpholin-4-yl-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylate
CID 58101133
2-[4-[(4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
CID 58147980
9-bromo-2-[4-[(4-fluorophenyl)methyl]-3H-pyrrol-2-yl]-7-morpholin-4-yl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
CID 58148034
N-[1-amino-2-(4-fluorophenyl)ethylidene]-7-morpholin-4-yl-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxamide
CID 68203807
N-[1-amino-2-(4-fluorophenyl)ethylidene]-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 68203808
[[1-Amino-2-(4-fluorophenyl)ethylidene]amino] 7-morpholin-4-yl-4-oxo-3-phenylmethoxypyrido[1,2-a]pyrimidine-2-carboxylate
CID 76655934
[(E)-[1-amino-2-(4-fluorophenyl)ethylidene]amino] 3-butoxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
CID 88566917
1-(3-butoxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazin-2-yl)ethenyl (1Z)-2-(4-fluorophenyl)ethanehydrazonate
CID 88958874
2-[5-[(4-Fluorophenyl)methyl]-2,5-dihydro-1,2,4-oxadiazol-3-yl]-7-methyl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
CID 91287928
2-[4-[(4-Fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]-3-hydroxy-7-(morpholin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 135993610

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-3-olate?
The IUPAC name of 2-[4-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-3-olate (CID 58101167) is 2-[4-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-3-olate.
What is the SMILES notation for 2-[4-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-3-olate?
The canonical SMILES for 2-[4-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-3-olate is O=c1c([O-])c(C2=NC(Cc3ccc(F)cc3)CO2)nc2ccc(N3CCOCC3)cn12.
What is the InChIKey of 2-[4-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-3-olate?
The InChIKey is PIBAZQLLAKQFKH-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H21FN4O4/c23-15-3-1-14(2-4-15)11-16-13-31-21(24-16)19-20(28)22(29)27-12-17(5-6-18(27)25-19)26-7-9-30-10-8-26/h1-6,12,16,28H,7-11,13H2/p-1.
What are the key properties of 2-[4-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-3-olate?
2-[4-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-3-olate has a molecular weight of 423.42 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-3-olate is sourced from PubChem (CID 58101167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).