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

C21H13ClF2N4O2 — CID 67199795

IUPACN-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(3,5-difluorophenyl)acetamide
SMILESCC(=O)N(c1cc(F)cc(F)c1)c1onc(-c2ccc(Cl)cc2)c1-c1ccncn1
InChIInChI=1S/C21H13ClF2N4O2/c1-12(29)28(17-9-15(23)8-16(24)10-17)21-19(18-6-7-25-11-26-18)20(27-30-21)13-2-4-14(22)5-3-13/h2-11H,1H3
InChIKeyTYRPZEFEWHLZCO-UHFFFAOYSA-N
MW426.81 g/mol
LogP5.41
Rot. Bonds4

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

N-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(3,5-difluorophenyl)acetamide (PubChem CID 67199795) has the molecular formula C21H13ClF2N4O2 and a molecular weight of 426.81 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(3,5-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(3,5-difluorophenyl)acetamide
PubChem CID67199795
Molecular FormulaC21H13ClF2N4O2
Molecular Weight426.81 g/mol
Exact Mass426.07
IUPAC NameN-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(3,5-difluorophenyl)acetamide
SMILESCC(=O)N(c1cc(F)cc(F)c1)c1onc(-c2ccc(Cl)cc2)c1-c1ccncn1
InChIInChI=1S/C21H13ClF2N4O2/c1-12(29)28(17-9-15(23)8-16(24)10-17)21-19(18-6-7-25-11-26-18)20(27-30-21)13-2-4-14(22)5-3-13/h2-11H,1H3
InChIKeyTYRPZEFEWHLZCO-UHFFFAOYSA-N
XLogP5.41
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.81
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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]-N-(3,5-difluorophenyl)acetamide?
The IUPAC name of N-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(3,5-difluorophenyl)acetamide (CID 67199795) is N-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(3,5-difluorophenyl)acetamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(3,5-difluorophenyl)acetamide?
The canonical SMILES for N-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(3,5-difluorophenyl)acetamide is CC(=O)N(c1cc(F)cc(F)c1)c1onc(-c2ccc(Cl)cc2)c1-c1ccncn1.
What is the InChIKey of N-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(3,5-difluorophenyl)acetamide?
The InChIKey is TYRPZEFEWHLZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClF2N4O2/c1-12(29)28(17-9-15(23)8-16(24)10-17)21-19(18-6-7-25-11-26-18)20(27-30-21)13-2-4-14(22)5-3-13/h2-11H,1H3.
What are the key properties of N-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(3,5-difluorophenyl)acetamide?
N-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(3,5-difluorophenyl)acetamide has a molecular weight of 426.81 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 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]-N-(3,5-difluorophenyl)acetamide is sourced from PubChem (CID 67199795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).