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

C21H22N4O3 — CID 166633886

IUPAC(2S)-4-[6-[3-(1,3-oxazol-2-yl)cyclobutyl]oxypyrimidin-4-yl]-2-phenylmorpholine
SMILESc1ccc([C@H]2CN(c3cc(OC4CC(c5ncco5)C4)ncn3)CCO2)cc1
InChIInChI=1S/C21H22N4O3/c1-2-4-15(5-3-1)18-13-25(7-9-26-18)19-12-20(24-14-23-19)28-17-10-16(11-17)21-22-6-8-27-21/h1-6,8,12,14,16-18H,7,9-11,13H2/t16?,17?,18-/m1/s1
InChIKeyQQAGCVNOIMWKAC-DAWZGUTISA-N
MW378.43 g/mol
LogP3.37
Rot. Bonds5

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

(2S)-4-[6-[3-(1,3-oxazol-2-yl)cyclobutyl]oxypyrimidin-4-yl]-2-phenylmorpholine (PubChem CID 166633886) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is (2S)-4-[6-[3-(1,3-oxazol-2-yl)cyclobutyl]oxypyrimidin-4-yl]-2-phenylmorpholine.

Molecular Properties

Compound Name(2S)-4-[6-[3-(1,3-oxazol-2-yl)cyclobutyl]oxypyrimidin-4-yl]-2-phenylmorpholine
PubChem CID166633886
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name(2S)-4-[6-[3-(1,3-oxazol-2-yl)cyclobutyl]oxypyrimidin-4-yl]-2-phenylmorpholine
SMILESc1ccc([C@H]2CN(c3cc(OC4CC(c5ncco5)C4)ncn3)CCO2)cc1
InChIInChI=1S/C21H22N4O3/c1-2-4-15(5-3-1)18-13-25(7-9-26-18)19-12-20(24-14-23-19)28-17-10-16(11-17)21-22-6-8-27-21/h1-6,8,12,14,16-18H,7,9-11,13H2/t16?,17?,18-/m1/s1
InChIKeyQQAGCVNOIMWKAC-DAWZGUTISA-N
XLogP3.37
TPSA73.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[6-[3-(1,3-oxazol-2-yl)cyclobutyl]oxypyrimidin-4-yl]-2-phenylmorpholine?
The IUPAC name of (2S)-4-[6-[3-(1,3-oxazol-2-yl)cyclobutyl]oxypyrimidin-4-yl]-2-phenylmorpholine (CID 166633886) is (2S)-4-[6-[3-(1,3-oxazol-2-yl)cyclobutyl]oxypyrimidin-4-yl]-2-phenylmorpholine.
What is the SMILES notation for (2S)-4-[6-[3-(1,3-oxazol-2-yl)cyclobutyl]oxypyrimidin-4-yl]-2-phenylmorpholine?
The canonical SMILES for (2S)-4-[6-[3-(1,3-oxazol-2-yl)cyclobutyl]oxypyrimidin-4-yl]-2-phenylmorpholine is c1ccc([C@H]2CN(c3cc(OC4CC(c5ncco5)C4)ncn3)CCO2)cc1.
What is the InChIKey of (2S)-4-[6-[3-(1,3-oxazol-2-yl)cyclobutyl]oxypyrimidin-4-yl]-2-phenylmorpholine?
The InChIKey is QQAGCVNOIMWKAC-DAWZGUTISA-N. The full InChI is InChI=1S/C21H22N4O3/c1-2-4-15(5-3-1)18-13-25(7-9-26-18)19-12-20(24-14-23-19)28-17-10-16(11-17)21-22-6-8-27-21/h1-6,8,12,14,16-18H,7,9-11,13H2/t16?,17?,18-/m1/s1.
What are the key properties of (2S)-4-[6-[3-(1,3-oxazol-2-yl)cyclobutyl]oxypyrimidin-4-yl]-2-phenylmorpholine?
(2S)-4-[6-[3-(1,3-oxazol-2-yl)cyclobutyl]oxypyrimidin-4-yl]-2-phenylmorpholine has a molecular weight of 378.43 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[6-[3-(1,3-oxazol-2-yl)cyclobutyl]oxypyrimidin-4-yl]-2-phenylmorpholine is sourced from PubChem (CID 166633886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).