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

C22H16F2N4O3 — CID 67198802

IUPACN-[3-(2,4-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1N(C(C)=O)c1onc(-c2ccc(F)cc2F)c1-c1ccncn1
InChIInChI=1S/C22H16F2N4O3/c1-13(29)28(18-5-3-4-6-19(18)30-2)22-20(17-9-10-25-12-26-17)21(27-31-22)15-8-7-14(23)11-16(15)24/h3-12H,1-2H3
InChIKeyMHVYDEVOLJZEMU-UHFFFAOYSA-N
MW422.39 g/mol
LogP4.77
Rot. Bonds5

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

N-[3-(2,4-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-methoxyphenyl)acetamide (PubChem CID 67198802) has the molecular formula C22H16F2N4O3 and a molecular weight of 422.39 g/mol. Its IUPAC name is N-[3-(2,4-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(2,4-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-methoxyphenyl)acetamide
PubChem CID67198802
Molecular FormulaC22H16F2N4O3
Molecular Weight422.39 g/mol
Exact Mass422.12
IUPAC NameN-[3-(2,4-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1N(C(C)=O)c1onc(-c2ccc(F)cc2F)c1-c1ccncn1
InChIInChI=1S/C22H16F2N4O3/c1-13(29)28(18-5-3-4-6-19(18)30-2)22-20(17-9-10-25-12-26-17)21(27-31-22)15-8-7-14(23)11-16(15)24/h3-12H,1-2H3
InChIKeyMHVYDEVOLJZEMU-UHFFFAOYSA-N
XLogP4.77
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.39
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[3-(2,4-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-methoxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of N-[3-(2,4-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-methoxyphenyl)acetamide (CID 67198802) is N-[3-(2,4-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for N-[3-(2,4-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for N-[3-(2,4-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-methoxyphenyl)acetamide is COc1ccccc1N(C(C)=O)c1onc(-c2ccc(F)cc2F)c1-c1ccncn1.
What is the InChIKey of N-[3-(2,4-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is MHVYDEVOLJZEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N4O3/c1-13(29)28(18-5-3-4-6-19(18)30-2)22-20(17-9-10-25-12-26-17)21(27-31-22)15-8-7-14(23)11-16(15)24/h3-12H,1-2H3.
What are the key properties of N-[3-(2,4-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-methoxyphenyl)acetamide?
N-[3-(2,4-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 422.39 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,4-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 67198802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).