(2S)-4-[6-[3-(1,3,4-oxadiazol-2-yl)cyclobutyl]oxypyrimidin-4-yl]-2-phenylmorpholine

C20H21N5O3 — CID 166628894

IUPAC(2S)-4-[6-[3-(1,3,4-oxadiazol-2-yl)cyclobutyl]oxypyrimidin-4-yl]-2-phenylmorpholine
SMILESc1ccc([C@H]2CN(c3cc(OC4CC(c5nnco5)C4)ncn3)CCO2)cc1
InChIInChI=1S/C20H21N5O3/c1-2-4-14(5-3-1)17-11-25(6-7-26-17)18-10-19(22-12-21-18)28-16-8-15(9-16)20-24-23-13-27-20/h1-5,10,12-13,15-17H,6-9,11H2/t15?,16?,17-/m1/s1
InChIKeyHLSOCDOOECDGJP-OFLPRAFFSA-N
MW379.42 g/mol
LogP2.76
Rot. Bonds5

About (2S)-4-[6-[3-(1,3,4-oxadiazol-2-yl)cyclobutyl]oxypyrimidin-4-yl]-2-phenylmorpholine

(2S)-4-[6-[3-(1,3,4-oxadiazol-2-yl)cyclobutyl]oxypyrimidin-4-yl]-2-phenylmorpholine (PubChem CID 166628894) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is (2S)-4-[6-[3-(1,3,4-oxadiazol-2-yl)cyclobutyl]oxypyrimidin-4-yl]-2-phenylmorpholine.

Molecular Properties

Compound Name(2S)-4-[6-[3-(1,3,4-oxadiazol-2-yl)cyclobutyl]oxypyrimidin-4-yl]-2-phenylmorpholine
PubChem CID166628894
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name(2S)-4-[6-[3-(1,3,4-oxadiazol-2-yl)cyclobutyl]oxypyrimidin-4-yl]-2-phenylmorpholine
SMILESc1ccc([C@H]2CN(c3cc(OC4CC(c5nnco5)C4)ncn3)CCO2)cc1
InChIInChI=1S/C20H21N5O3/c1-2-4-14(5-3-1)17-11-25(6-7-26-17)18-10-19(22-12-21-18)28-16-8-15(9-16)20-24-23-13-27-20/h1-5,10,12-13,15-17H,6-9,11H2/t15?,16?,17-/m1/s1
InChIKeyHLSOCDOOECDGJP-OFLPRAFFSA-N
XLogP2.76
TPSA86.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (2S)-4-[6-[3-(1,3,4-oxadiazol-2-yl)cyclobutyl]oxypyrimidin-4-yl]-2-phenylmorpholine with MolForge

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Related Compounds

Elovl1-IN-3
CID 162641713
4-[6-[3-(5-Methylpyrazol-1-yl)propoxy]pyrimidin-4-yl]-2-phenylmorpholine
CID 166631388
(2S)-4-[6-[3-(1,3-oxazol-2-yl)cyclobutyl]oxypyrimidin-4-yl]-2-phenylmorpholine
CID 166633886
(2S)-2-phenyl-4-[6-(3-phenylcyclobutyl)oxypyrimidin-4-yl]morpholine
CID 166634181
(2S)-2-phenyl-4-[6-[3-(triazol-1-yl)cyclobutyl]oxypyrimidin-4-yl]morpholine
CID 166635453
2-Benzyl-5-[[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 86895309
4-({1-[(1,3,4-Oxadiazol-2-yl)methyl]piperidin-4-yl}methoxy)-6-phenylpyrimidine
CID 137937138
4-({1-[(5-Methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl}methoxy)-6-phenylpyrimidine
CID 137937144
2-(4-Methoxyphenyl)-1-(3-{[6-(1-piperidinyl)-4-pyrimidinyl]oxy}-1-pyrrolidinyl)ethanone
CID 168015362
2-Phenyl-4-[6-(3-pyrazol-1-ylcyclobutyl)oxypyrimidin-4-yl]morpholine
CID 168322572

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[6-[3-(1,3,4-oxadiazol-2-yl)cyclobutyl]oxypyrimidin-4-yl]-2-phenylmorpholine?
The IUPAC name of (2S)-4-[6-[3-(1,3,4-oxadiazol-2-yl)cyclobutyl]oxypyrimidin-4-yl]-2-phenylmorpholine (CID 166628894) is (2S)-4-[6-[3-(1,3,4-oxadiazol-2-yl)cyclobutyl]oxypyrimidin-4-yl]-2-phenylmorpholine.
What is the SMILES notation for (2S)-4-[6-[3-(1,3,4-oxadiazol-2-yl)cyclobutyl]oxypyrimidin-4-yl]-2-phenylmorpholine?
The canonical SMILES for (2S)-4-[6-[3-(1,3,4-oxadiazol-2-yl)cyclobutyl]oxypyrimidin-4-yl]-2-phenylmorpholine is c1ccc([C@H]2CN(c3cc(OC4CC(c5nnco5)C4)ncn3)CCO2)cc1.
What is the InChIKey of (2S)-4-[6-[3-(1,3,4-oxadiazol-2-yl)cyclobutyl]oxypyrimidin-4-yl]-2-phenylmorpholine?
The InChIKey is HLSOCDOOECDGJP-OFLPRAFFSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-2-4-14(5-3-1)17-11-25(6-7-26-17)18-10-19(22-12-21-18)28-16-8-15(9-16)20-24-23-13-27-20/h1-5,10,12-13,15-17H,6-9,11H2/t15?,16?,17-/m1/s1.
What are the key properties of (2S)-4-[6-[3-(1,3,4-oxadiazol-2-yl)cyclobutyl]oxypyrimidin-4-yl]-2-phenylmorpholine?
(2S)-4-[6-[3-(1,3,4-oxadiazol-2-yl)cyclobutyl]oxypyrimidin-4-yl]-2-phenylmorpholine has a molecular weight of 379.42 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[6-[3-(1,3,4-oxadiazol-2-yl)cyclobutyl]oxypyrimidin-4-yl]-2-phenylmorpholine is sourced from PubChem (CID 166628894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).