[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone

C22H24N6O3 — CID 122344455

IUPAC[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)on1)N1CCN(c2ccnc(N3CCOCC3)n2)CC1
InChIInChI=1S/C22H24N6O3/c29-21(18-16-19(31-25-18)17-4-2-1-3-5-17)27-10-8-26(9-11-27)20-6-7-23-22(24-20)28-12-14-30-15-13-28/h1-7,16H,8-15H2
InChIKeyCPSZHYHXSZPZDO-UHFFFAOYSA-N
MW420.47 g/mol
LogP1.93
Rot. Bonds4

About [4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone

[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone (PubChem CID 122344455) has the molecular formula C22H24N6O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is [4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
PubChem CID122344455
Molecular FormulaC22H24N6O3
Molecular Weight420.47 g/mol
Exact Mass420.19
IUPAC Name[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)on1)N1CCN(c2ccnc(N3CCOCC3)n2)CC1
InChIInChI=1S/C22H24N6O3/c29-21(18-16-19(31-25-18)17-4-2-1-3-5-17)27-10-8-26(9-11-27)20-6-7-23-22(24-20)28-12-14-30-15-13-28/h1-7,16H,8-15H2
InChIKeyCPSZHYHXSZPZDO-UHFFFAOYSA-N
XLogP1.93
TPSA87.83 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(1-methyl-3-phenylpyrazol-5-yl)-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122344425
[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 122342395
(2-methoxyphenyl)-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56922132
(3,4-difluorophenyl)-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122344401
4-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886572
[4-(4-methoxyphenyl)piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 17011323
N-[3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 118877205
4-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbonyl]benzonitrile
CID 122344468
(4-ethoxyphenyl)-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 70703575
1-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-2-phenoxypropan-1-one
CID 70703060
cyclohexyl-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 70703659
[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 56865341

Frequently Asked Questions

What is the IUPAC name of [4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone (CID 122344455) is [4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone is O=C(c1cc(-c2ccccc2)on1)N1CCN(c2ccnc(N3CCOCC3)n2)CC1.
What is the InChIKey of [4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone?
The InChIKey is CPSZHYHXSZPZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O3/c29-21(18-16-19(31-25-18)17-4-2-1-3-5-17)27-10-8-26(9-11-27)20-6-7-23-22(24-20)28-12-14-30-15-13-28/h1-7,16H,8-15H2.
What are the key properties of [4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone?
[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone has a molecular weight of 420.47 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 122344455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).