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

C23H19ClN4O3 — CID 67197839

IUPAC2-(2-chlorophenyl)-N-[3-(4-ethoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
SMILESCCOc1ccc(-c2noc(NC(=O)Cc3ccccc3Cl)c2-c2ccncn2)cc1
InChIInChI=1S/C23H19ClN4O3/c1-2-30-17-9-7-15(8-10-17)22-21(19-11-12-25-14-26-19)23(31-28-22)27-20(29)13-16-5-3-4-6-18(16)24/h3-12,14H,2,13H2,1H3,(H,27,29)
InChIKeyVZZBBUJSZKWERP-UHFFFAOYSA-N
MW434.88 g/mol
LogP5.03
Rot. Bonds7

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

2-(2-chlorophenyl)-N-[3-(4-ethoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide (PubChem CID 67197839) has the molecular formula C23H19ClN4O3 and a molecular weight of 434.88 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[3-(4-ethoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[3-(4-ethoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
PubChem CID67197839
Molecular FormulaC23H19ClN4O3
Molecular Weight434.88 g/mol
Exact Mass434.11
IUPAC Name2-(2-chlorophenyl)-N-[3-(4-ethoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
SMILESCCOc1ccc(-c2noc(NC(=O)Cc3ccccc3Cl)c2-c2ccncn2)cc1
InChIInChI=1S/C23H19ClN4O3/c1-2-30-17-9-7-15(8-10-17)22-21(19-11-12-25-14-26-19)23(31-28-22)27-20(29)13-16-5-3-4-6-18(16)24/h3-12,14H,2,13H2,1H3,(H,27,29)
InChIKeyVZZBBUJSZKWERP-UHFFFAOYSA-N
XLogP5.03
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.88
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-chlorophenyl)-N-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 25005874
N-[3-(4-chloro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-chlorophenyl)acetamide
CID 67194634
2-(2-chlorophenyl)-N-[3-(2-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 67198674
2-(2-chlorophenyl)-N-[3-(6-methyl-2-pyridinyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 67198283
2-chloro-N-[3-(4-ethoxyphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]acetamide
CID 174583815
2-(2,3-dichlorophenyl)-N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 69498283
N-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(3,5-dimethoxyphenyl)acetamide
CID 67198919
2-(2-fluorophenyl)-N-[3-(3-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 67194633
2-(3-methylphenyl)-N-(3-phenyl-4-pyrimidin-4-yl-1,2-oxazol-5-yl)acetamide
CID 67200807
N-[3-(2-fluoro-4-methoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-methylphenyl)acetamide
CID 67198100
N-[3-(3-bromophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 67198142
2-(2,5-dimethoxyphenyl)-N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 67198800

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[3-(4-ethoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[3-(4-ethoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide (CID 67197839) is 2-(2-chlorophenyl)-N-[3-(4-ethoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[3-(4-ethoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[3-(4-ethoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide is CCOc1ccc(-c2noc(NC(=O)Cc3ccccc3Cl)c2-c2ccncn2)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[3-(4-ethoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
The InChIKey is VZZBBUJSZKWERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O3/c1-2-30-17-9-7-15(8-10-17)22-21(19-11-12-25-14-26-19)23(31-28-22)27-20(29)13-16-5-3-4-6-18(16)24/h3-12,14H,2,13H2,1H3,(H,27,29).
What are the key properties of 2-(2-chlorophenyl)-N-[3-(4-ethoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
2-(2-chlorophenyl)-N-[3-(4-ethoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide has a molecular weight of 434.88 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[3-(4-ethoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 67197839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).