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

C22H16ClFN4O2 — CID 67197963

IUPAC2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-methylacetamide
SMILESCN(C(=O)Cc1ccccc1Cl)c1onc(-c2ccc(F)cc2)c1-c1ccncn1
InChIInChI=1S/C22H16ClFN4O2/c1-28(19(29)12-15-4-2-3-5-17(15)23)22-20(18-10-11-25-13-26-18)21(27-30-22)14-6-8-16(24)9-7-14/h2-11,13H,12H2,1H3
InChIKeyKNIJYUVCUFSADP-UHFFFAOYSA-N
MW422.85 g/mol
LogP4.80
Rot. Bonds5

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

2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-methylacetamide (PubChem CID 67197963) has the molecular formula C22H16ClFN4O2 and a molecular weight of 422.85 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-methylacetamide
PubChem CID67197963
Molecular FormulaC22H16ClFN4O2
Molecular Weight422.85 g/mol
Exact Mass422.09
IUPAC Name2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-methylacetamide
SMILESCN(C(=O)Cc1ccccc1Cl)c1onc(-c2ccc(F)cc2)c1-c1ccncn1
InChIInChI=1S/C22H16ClFN4O2/c1-28(19(29)12-15-4-2-3-5-17(15)23)22-20(18-10-11-25-13-26-18)21(27-30-22)14-6-8-16(24)9-7-14/h2-11,13H,12H2,1H3
InChIKeyKNIJYUVCUFSADP-UHFFFAOYSA-N
XLogP4.80
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.85
LogP ≤ 54.80
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-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-methylacetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-methylacetamide (CID 67197963) is 2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-methylacetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-methylacetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-methylacetamide is CN(C(=O)Cc1ccccc1Cl)c1onc(-c2ccc(F)cc2)c1-c1ccncn1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-methylacetamide?
The InChIKey is KNIJYUVCUFSADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClFN4O2/c1-28(19(29)12-15-4-2-3-5-17(15)23)22-20(18-10-11-25-13-26-18)21(27-30-22)14-6-8-16(24)9-7-14/h2-11,13H,12H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-methylacetamide?
2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-methylacetamide has a molecular weight of 422.85 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-methylacetamide is sourced from PubChem (CID 67197963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).