1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-pyrimidin-5-ylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol

C23H24N6O3 — CID 90425821

IUPAC1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-pyrimidin-5-ylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol
SMILESCNCC(O)COc1cccc(-c2nc(-c3cncnc3)cc(-c3c(C)noc3C)n2)c1
InChIInChI=1S/C23H24N6O3/c1-14-22(15(2)32-29-14)21-8-20(17-9-25-13-26-10-17)27-23(28-21)16-5-4-6-19(7-16)31-12-18(30)11-24-3/h4-10,13,18,24,30H,11-12H2,1-3H3
InChIKeyGXOGWNIEAKJPOP-UHFFFAOYSA-N
MW432.48 g/mol
LogP2.83
Rot. Bonds8

About 1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-pyrimidin-5-ylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol

1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-pyrimidin-5-ylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol (PubChem CID 90425821) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is 1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-pyrimidin-5-ylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-pyrimidin-5-ylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol
PubChem CID90425821
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC Name1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-pyrimidin-5-ylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol
SMILESCNCC(O)COc1cccc(-c2nc(-c3cncnc3)cc(-c3c(C)noc3C)n2)c1
InChIInChI=1S/C23H24N6O3/c1-14-22(15(2)32-29-14)21-8-20(17-9-25-13-26-10-17)27-23(28-21)16-5-4-6-19(7-16)31-12-18(30)11-24-3/h4-10,13,18,24,30H,11-12H2,1-3H3
InChIKeyGXOGWNIEAKJPOP-UHFFFAOYSA-N
XLogP2.83
TPSA119.08 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-pyrimidin-5-ylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol?
The IUPAC name of 1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-pyrimidin-5-ylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol (CID 90425821) is 1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-pyrimidin-5-ylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol.
What is the SMILES notation for 1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-pyrimidin-5-ylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol?
The canonical SMILES for 1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-pyrimidin-5-ylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol is CNCC(O)COc1cccc(-c2nc(-c3cncnc3)cc(-c3c(C)noc3C)n2)c1.
What is the InChIKey of 1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-pyrimidin-5-ylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol?
The InChIKey is GXOGWNIEAKJPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3/c1-14-22(15(2)32-29-14)21-8-20(17-9-25-13-26-10-17)27-23(28-21)16-5-4-6-19(7-16)31-12-18(30)11-24-3/h4-10,13,18,24,30H,11-12H2,1-3H3.
What are the key properties of 1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-pyrimidin-5-ylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol?
1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-pyrimidin-5-ylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol has a molecular weight of 432.48 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-pyrimidin-5-ylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol is sourced from PubChem (CID 90425821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).