(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone

C19H26N6O3 — CID 122340830

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1nc(N2CCOCC2)cc(N2CCN(C(=O)c3c(C)noc3C)CC2)n1
InChIInChI=1S/C19H26N6O3/c1-13-18(14(2)28-22-13)19(26)25-6-4-23(5-7-25)16-12-17(21-15(3)20-16)24-8-10-27-11-9-24/h12H,4-11H2,1-3H3
InChIKeyDKAAQQQXKABZLY-UHFFFAOYSA-N
MW386.46 g/mol
LogP1.19
Rot. Bonds3

About (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone

(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 122340830) has the molecular formula C19H26N6O3 and a molecular weight of 386.46 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID122340830
Molecular FormulaC19H26N6O3
Molecular Weight386.46 g/mol
Exact Mass386.21
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1nc(N2CCOCC2)cc(N2CCN(C(=O)c3c(C)noc3C)CC2)n1
InChIInChI=1S/C19H26N6O3/c1-13-18(14(2)28-22-13)19(26)25-6-4-23(5-7-25)16-12-17(21-15(3)20-16)24-8-10-27-11-9-24/h12H,4-11H2,1-3H3
InChIKeyDKAAQQQXKABZLY-UHFFFAOYSA-N
XLogP1.19
TPSA87.83 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Launch Full Analysis

Related Compounds

[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 122340854
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122339514
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56699345
1-[4-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbonyl]phenyl]ethanone
CID 122340897
(4-fluorophenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 50748400
(4-bromophenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 50748441
(4-chlorophenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 46267909
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342013
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122336413
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 2164712
(4-ethylphenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56699890
(2-fluorophenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 46267906

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone (CID 122340830) is (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone is Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)c3c(C)noc3C)CC2)n1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is DKAAQQQXKABZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O3/c1-13-18(14(2)28-22-13)19(26)25-6-4-23(5-7-25)16-12-17(21-15(3)20-16)24-8-10-27-11-9-24/h12H,4-11H2,1-3H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 386.46 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 122340830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).