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

C24H26ClN5O4 — CID 118881025

IUPAC1-[3-[4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]-5-chlorophenoxy]-3-(methylamino)propan-2-ol
SMILESCNCC(O)COc1cc(Cl)cc(-c2nc(-c3c(C)noc3C)cc(-c3c(C)noc3C)n2)c1
InChIInChI=1S/C24H26ClN5O4/c1-12-22(14(3)33-29-12)20-9-21(23-13(2)30-34-15(23)4)28-24(27-20)16-6-17(25)8-19(7-16)32-11-18(31)10-26-5/h6-9,18,26,31H,10-11H2,1-5H3
InChIKeyGZDYBRWHPBMVJE-UHFFFAOYSA-N
MW483.96 g/mol
LogP4.30
Rot. Bonds8

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

1-[3-[4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]-5-chlorophenoxy]-3-(methylamino)propan-2-ol (PubChem CID 118881025) has the molecular formula C24H26ClN5O4 and a molecular weight of 483.96 g/mol. Its IUPAC name is 1-[3-[4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]-5-chlorophenoxy]-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name1-[3-[4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]-5-chlorophenoxy]-3-(methylamino)propan-2-ol
PubChem CID118881025
Molecular FormulaC24H26ClN5O4
Molecular Weight483.96 g/mol
Exact Mass483.17
IUPAC Name1-[3-[4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]-5-chlorophenoxy]-3-(methylamino)propan-2-ol
SMILESCNCC(O)COc1cc(Cl)cc(-c2nc(-c3c(C)noc3C)cc(-c3c(C)noc3C)n2)c1
InChIInChI=1S/C24H26ClN5O4/c1-12-22(14(3)33-29-12)20-9-21(23-13(2)30-34-15(23)4)28-24(27-20)16-6-17(25)8-19(7-16)32-11-18(31)10-26-5/h6-9,18,26,31H,10-11H2,1-5H3
InChIKeyGZDYBRWHPBMVJE-UHFFFAOYSA-N
XLogP4.30
TPSA119.33 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.96
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]-5-chlorophenoxy]-3-(methylamino)propan-2-ol?
The IUPAC name of 1-[3-[4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]-5-chlorophenoxy]-3-(methylamino)propan-2-ol (CID 118881025) is 1-[3-[4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]-5-chlorophenoxy]-3-(methylamino)propan-2-ol.
What is the SMILES notation for 1-[3-[4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]-5-chlorophenoxy]-3-(methylamino)propan-2-ol?
The canonical SMILES for 1-[3-[4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]-5-chlorophenoxy]-3-(methylamino)propan-2-ol is CNCC(O)COc1cc(Cl)cc(-c2nc(-c3c(C)noc3C)cc(-c3c(C)noc3C)n2)c1.
What is the InChIKey of 1-[3-[4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]-5-chlorophenoxy]-3-(methylamino)propan-2-ol?
The InChIKey is GZDYBRWHPBMVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O4/c1-12-22(14(3)33-29-12)20-9-21(23-13(2)30-34-15(23)4)28-24(27-20)16-6-17(25)8-19(7-16)32-11-18(31)10-26-5/h6-9,18,26,31H,10-11H2,1-5H3.
What are the key properties of 1-[3-[4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]-5-chlorophenoxy]-3-(methylamino)propan-2-ol?
1-[3-[4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]-5-chlorophenoxy]-3-(methylamino)propan-2-ol has a molecular weight of 483.96 g/mol, XLogP of 4.30, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4,6-bis(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-2-yl]-5-chlorophenoxy]-3-(methylamino)propan-2-ol is sourced from PubChem (CID 118881025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).