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

C23H18ClFN4O2 — CID 67196616

IUPAC2-(2-chlorophenyl)-N-ethyl-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
SMILESCCN(C(=O)Cc1ccccc1Cl)c1onc(-c2ccc(F)cc2)c1-c1ccncn1
InChIInChI=1S/C23H18ClFN4O2/c1-2-29(20(30)13-16-5-3-4-6-18(16)24)23-21(19-11-12-26-14-27-19)22(28-31-23)15-7-9-17(25)10-8-15/h3-12,14H,2,13H2,1H3
InChIKeyBMCTYWUFCLPLSN-UHFFFAOYSA-N
MW436.87 g/mol
LogP5.19
Rot. Bonds6

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

2-(2-chlorophenyl)-N-ethyl-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide (PubChem CID 67196616) has the molecular formula C23H18ClFN4O2 and a molecular weight of 436.87 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-ethyl-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-ethyl-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
PubChem CID67196616
Molecular FormulaC23H18ClFN4O2
Molecular Weight436.87 g/mol
Exact Mass436.11
IUPAC Name2-(2-chlorophenyl)-N-ethyl-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
SMILESCCN(C(=O)Cc1ccccc1Cl)c1onc(-c2ccc(F)cc2)c1-c1ccncn1
InChIInChI=1S/C23H18ClFN4O2/c1-2-29(20(30)13-16-5-3-4-6-18(16)24)23-21(19-11-12-26-14-27-19)22(28-31-23)15-7-9-17(25)10-8-15/h3-12,14H,2,13H2,1H3
InChIKeyBMCTYWUFCLPLSN-UHFFFAOYSA-N
XLogP5.19
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.87
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-ethyl-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-ethyl-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide (CID 67196616) is 2-(2-chlorophenyl)-N-ethyl-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-ethyl-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-ethyl-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide is CCN(C(=O)Cc1ccccc1Cl)c1onc(-c2ccc(F)cc2)c1-c1ccncn1.
What is the InChIKey of 2-(2-chlorophenyl)-N-ethyl-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
The InChIKey is BMCTYWUFCLPLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN4O2/c1-2-29(20(30)13-16-5-3-4-6-18(16)24)23-21(19-11-12-26-14-27-19)22(28-31-23)15-7-9-17(25)10-8-15/h3-12,14H,2,13H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-N-ethyl-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
2-(2-chlorophenyl)-N-ethyl-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide has a molecular weight of 436.87 g/mol, XLogP of 5.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-ethyl-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 67196616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).