N-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(3,5-dimethoxyphenyl)acetamide

C23H19ClN4O4 — CID 67198919

IUPACN-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(3,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)Nc2onc(-c3ccc(Cl)cc3)c2-c2ccncn2)cc(OC)c1
InChIInChI=1S/C23H19ClN4O4/c1-30-17-9-14(10-18(12-17)31-2)11-20(29)27-23-21(19-7-8-25-13-26-19)22(28-32-23)15-3-5-16(24)6-4-15/h3-10,12-13H,11H2,1-2H3,(H,27,29)
InChIKeyJPNYAFBXXMMILN-UHFFFAOYSA-N
MW450.88 g/mol
LogP4.65
Rot. Bonds7

About N-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(3,5-dimethoxyphenyl)acetamide

N-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(3,5-dimethoxyphenyl)acetamide (PubChem CID 67198919) has the molecular formula C23H19ClN4O4 and a molecular weight of 450.88 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(3,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(3,5-dimethoxyphenyl)acetamide
PubChem CID67198919
Molecular FormulaC23H19ClN4O4
Molecular Weight450.88 g/mol
Exact Mass450.11
IUPAC NameN-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(3,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)Nc2onc(-c3ccc(Cl)cc3)c2-c2ccncn2)cc(OC)c1
InChIInChI=1S/C23H19ClN4O4/c1-30-17-9-14(10-18(12-17)31-2)11-20(29)27-23-21(19-7-8-25-13-26-19)22(28-32-23)15-3-5-16(24)6-4-15/h3-10,12-13H,11H2,1-2H3,(H,27,29)
InChIKeyJPNYAFBXXMMILN-UHFFFAOYSA-N
XLogP4.65
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.88
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(3,5-dimethoxyphenyl)acetamide?
The IUPAC name of N-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(3,5-dimethoxyphenyl)acetamide (CID 67198919) is N-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(3,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(3,5-dimethoxyphenyl)acetamide?
The canonical SMILES for N-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(3,5-dimethoxyphenyl)acetamide is COc1cc(CC(=O)Nc2onc(-c3ccc(Cl)cc3)c2-c2ccncn2)cc(OC)c1.
What is the InChIKey of N-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(3,5-dimethoxyphenyl)acetamide?
The InChIKey is JPNYAFBXXMMILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O4/c1-30-17-9-14(10-18(12-17)31-2)11-20(29)27-23-21(19-7-8-25-13-26-19)22(28-32-23)15-3-5-16(24)6-4-15/h3-10,12-13H,11H2,1-2H3,(H,27,29).
What are the key properties of N-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(3,5-dimethoxyphenyl)acetamide?
N-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(3,5-dimethoxyphenyl)acetamide has a molecular weight of 450.88 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(3,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 67198919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).