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

C28H19ClFN5O3 — CID 141253549

IUPACN-[2-[5-[[2-(2-chlorophenyl)acetyl]amino]-3-(4-fluorophenyl)-1,2-oxazol-4-yl]pyrimidin-4-yl]benzamide
SMILESO=C(Cc1ccccc1Cl)Nc1onc(-c2ccc(F)cc2)c1-c1nccc(NC(=O)c2ccccc2)n1
InChIInChI=1S/C28H19ClFN5O3/c29-21-9-5-4-8-19(21)16-23(36)34-28-24(25(35-38-28)17-10-12-20(30)13-11-17)26-31-15-14-22(32-26)33-27(37)18-6-2-1-3-7-18/h1-15H,16H2,(H,34,36)(H,31,32,33,37)
InChIKeyDTFOKMWGPGUHJE-UHFFFAOYSA-N
MW527.94 g/mol
LogP6.02
Rot. Bonds7

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

N-[2-[5-[[2-(2-chlorophenyl)acetyl]amino]-3-(4-fluorophenyl)-1,2-oxazol-4-yl]pyrimidin-4-yl]benzamide (PubChem CID 141253549) has the molecular formula C28H19ClFN5O3 and a molecular weight of 527.94 g/mol. Its IUPAC name is N-[2-[5-[[2-(2-chlorophenyl)acetyl]amino]-3-(4-fluorophenyl)-1,2-oxazol-4-yl]pyrimidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[2-[5-[[2-(2-chlorophenyl)acetyl]amino]-3-(4-fluorophenyl)-1,2-oxazol-4-yl]pyrimidin-4-yl]benzamide
PubChem CID141253549
Molecular FormulaC28H19ClFN5O3
Molecular Weight527.94 g/mol
Exact Mass527.12
IUPAC NameN-[2-[5-[[2-(2-chlorophenyl)acetyl]amino]-3-(4-fluorophenyl)-1,2-oxazol-4-yl]pyrimidin-4-yl]benzamide
SMILESO=C(Cc1ccccc1Cl)Nc1onc(-c2ccc(F)cc2)c1-c1nccc(NC(=O)c2ccccc2)n1
InChIInChI=1S/C28H19ClFN5O3/c29-21-9-5-4-8-19(21)16-23(36)34-28-24(25(35-38-28)17-10-12-20(30)13-11-17)26-31-15-14-22(32-26)33-27(37)18-6-2-1-3-7-18/h1-15H,16H2,(H,34,36)(H,31,32,33,37)
InChIKeyDTFOKMWGPGUHJE-UHFFFAOYSA-N
XLogP6.02
TPSA110.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.94
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-[5-[[2-(2-chlorophenyl)acetyl]amino]-3-(4-fluorophenyl)-1,2-oxazol-4-yl]pyrimidin-4-yl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-chlorophenyl)-N-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 25005874
N-[4-(2-bromo-4-pyridinyl)-3-(4-fluorophenyl)-1,2-oxazol-5-yl]-2-phenylacetamide
CID 57465234
N-[3-(4-fluorophenyl)-4-(2-methoxypyrimidin-4-yl)-1,2-oxazol-5-yl]-2-phenylacetamide
CID 67195743
2-(2-chlorophenyl)-N-[3-(4-ethoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 67197839
N-[3-(4-chloro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-2-(2-chlorophenyl)acetamide
CID 67194634
2-(2-chlorophenyl)-N-[3-(2-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 67198674
methyl 5-[(2-chlorophenyl)methylamino]-3-(4-fluorophenyl)-1,2-oxazole-4-carboxylate
CID 53022232
N-[4-(3,4-dimethyl-2-pyridinyl)-3-(4-fluorophenyl)-1,2-oxazol-5-yl]-3-phenylpropanamide
CID 140544107
2-(2-chlorophenyl)-N-[3-(6-methyl-2-pyridinyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 67198283
4-fluoro-N-(2-pyridin-4-ylpyrimidin-4-yl)benzamide
CID 3439528
N-[3-(4-fluorophenyl)-4-(3-methyl-2-pyridinyl)-1,2-oxazol-5-yl]-3-phenylpropanamide
CID 140544118
2-(2,3-dichlorophenyl)-N-[3-(4-fluoro-3-methylphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 69498283

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[[2-(2-chlorophenyl)acetyl]amino]-3-(4-fluorophenyl)-1,2-oxazol-4-yl]pyrimidin-4-yl]benzamide?
The IUPAC name of N-[2-[5-[[2-(2-chlorophenyl)acetyl]amino]-3-(4-fluorophenyl)-1,2-oxazol-4-yl]pyrimidin-4-yl]benzamide (CID 141253549) is N-[2-[5-[[2-(2-chlorophenyl)acetyl]amino]-3-(4-fluorophenyl)-1,2-oxazol-4-yl]pyrimidin-4-yl]benzamide.
What is the SMILES notation for N-[2-[5-[[2-(2-chlorophenyl)acetyl]amino]-3-(4-fluorophenyl)-1,2-oxazol-4-yl]pyrimidin-4-yl]benzamide?
The canonical SMILES for N-[2-[5-[[2-(2-chlorophenyl)acetyl]amino]-3-(4-fluorophenyl)-1,2-oxazol-4-yl]pyrimidin-4-yl]benzamide is O=C(Cc1ccccc1Cl)Nc1onc(-c2ccc(F)cc2)c1-c1nccc(NC(=O)c2ccccc2)n1.
What is the InChIKey of N-[2-[5-[[2-(2-chlorophenyl)acetyl]amino]-3-(4-fluorophenyl)-1,2-oxazol-4-yl]pyrimidin-4-yl]benzamide?
The InChIKey is DTFOKMWGPGUHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19ClFN5O3/c29-21-9-5-4-8-19(21)16-23(36)34-28-24(25(35-38-28)17-10-12-20(30)13-11-17)26-31-15-14-22(32-26)33-27(37)18-6-2-1-3-7-18/h1-15H,16H2,(H,34,36)(H,31,32,33,37).
What are the key properties of N-[2-[5-[[2-(2-chlorophenyl)acetyl]amino]-3-(4-fluorophenyl)-1,2-oxazol-4-yl]pyrimidin-4-yl]benzamide?
N-[2-[5-[[2-(2-chlorophenyl)acetyl]amino]-3-(4-fluorophenyl)-1,2-oxazol-4-yl]pyrimidin-4-yl]benzamide has a molecular weight of 527.94 g/mol, XLogP of 6.02, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[[2-(2-chlorophenyl)acetyl]amino]-3-(4-fluorophenyl)-1,2-oxazol-4-yl]pyrimidin-4-yl]benzamide is sourced from PubChem (CID 141253549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).