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

C21H13ClF2N4O2 — CID 11502801

IUPAC2-(2-chlorophenyl)-N-[3-(2,4-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
SMILESO=C(Cc1ccccc1Cl)Nc1onc(-c2ccc(F)cc2F)c1-c1ccncn1
InChIInChI=1S/C21H13ClF2N4O2/c22-15-4-2-1-3-12(15)9-18(29)27-21-19(17-7-8-25-11-26-17)20(28-30-21)14-6-5-13(23)10-16(14)24/h1-8,10-11H,9H2,(H,27,29)
InChIKeyQOGGUCJFELPAEY-UHFFFAOYSA-N
MW426.81 g/mol
LogP4.91
Rot. Bonds5

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

2-(2-chlorophenyl)-N-[3-(2,4-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide (PubChem CID 11502801) has the molecular formula C21H13ClF2N4O2 and a molecular weight of 426.81 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[3-(2,4-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[3-(2,4-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
PubChem CID11502801
Molecular FormulaC21H13ClF2N4O2
Molecular Weight426.81 g/mol
Exact Mass426.07
IUPAC Name2-(2-chlorophenyl)-N-[3-(2,4-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
SMILESO=C(Cc1ccccc1Cl)Nc1onc(-c2ccc(F)cc2F)c1-c1ccncn1
InChIInChI=1S/C21H13ClF2N4O2/c22-15-4-2-1-3-12(15)9-18(29)27-21-19(17-7-8-25-11-26-17)20(28-30-21)14-6-5-13(23)10-16(14)24/h1-8,10-11H,9H2,(H,27,29)
InChIKeyQOGGUCJFELPAEY-UHFFFAOYSA-N
XLogP4.91
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.81
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Akp-001
CID 11626055
4-(5-Methyl-3-phenylisoxazol-4-yl)pyrimidin-2-amine
CID 2745721
N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-methylphenyl)acetamide
CID 11625524
2-(2-chlorophenyl)-N-[3-(3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 11654334
N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53329881
3-(2-chloro-6-fluorophenyl)-5-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide
CID 2355899
N-[(3-chlorophenyl)methyl]-1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxamide
CID 16023700
3-(2-chlorophenyl)-5-methyl-N-(4-methylpyridin-2-yl)-1,2-oxazole-4-carboxamide
CID 798822
N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]acetamide
CID 2745748
2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 11640137
2-(2-chlorophenyl)-N-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 25005874
3-(4-Fluorophenyl)-5-(phenylacetylamino)-4-(4-pyrimidinyl)isoxazole
CID 57467724

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[3-(2,4-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[3-(2,4-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide (CID 11502801) is 2-(2-chlorophenyl)-N-[3-(2,4-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[3-(2,4-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[3-(2,4-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide is O=C(Cc1ccccc1Cl)Nc1onc(-c2ccc(F)cc2F)c1-c1ccncn1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[3-(2,4-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
The InChIKey is QOGGUCJFELPAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClF2N4O2/c22-15-4-2-1-3-12(15)9-18(29)27-21-19(17-7-8-25-11-26-17)20(28-30-21)14-6-5-13(23)10-16(14)24/h1-8,10-11H,9H2,(H,27,29).
What are the key properties of 2-(2-chlorophenyl)-N-[3-(2,4-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
2-(2-chlorophenyl)-N-[3-(2,4-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide has a molecular weight of 426.81 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[3-(2,4-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 11502801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).