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

C21H13Cl3N4O2 — CID 67197420

IUPACN-(2-chlorophenyl)-N-[3-(3,5-dichlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
SMILESCC(=O)N(c1ccccc1Cl)c1onc(-c2cc(Cl)cc(Cl)c2)c1-c1ccncn1
InChIInChI=1S/C21H13Cl3N4O2/c1-12(29)28(18-5-3-2-4-16(18)24)21-19(17-6-7-25-11-26-17)20(27-30-21)13-8-14(22)10-15(23)9-13/h2-11H,1H3
InChIKeyJRGCNCGOCZKSFE-UHFFFAOYSA-N
MW459.72 g/mol
LogP6.44
Rot. Bonds4

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

N-(2-chlorophenyl)-N-[3-(3,5-dichlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide (PubChem CID 67197420) has the molecular formula C21H13Cl3N4O2 and a molecular weight of 459.72 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N-[3-(3,5-dichlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N-[3-(3,5-dichlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
PubChem CID67197420
Molecular FormulaC21H13Cl3N4O2
Molecular Weight459.72 g/mol
Exact Mass458.01
IUPAC NameN-(2-chlorophenyl)-N-[3-(3,5-dichlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
SMILESCC(=O)N(c1ccccc1Cl)c1onc(-c2cc(Cl)cc(Cl)c2)c1-c1ccncn1
InChIInChI=1S/C21H13Cl3N4O2/c1-12(29)28(18-5-3-2-4-16(18)24)21-19(17-6-7-25-11-26-17)20(27-30-21)13-8-14(22)10-15(23)9-13/h2-11H,1H3
InChIKeyJRGCNCGOCZKSFE-UHFFFAOYSA-N
XLogP6.44
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.72
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(3,5-dichlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2-fluorophenyl)acetamide
CID 67196567
N-(2-chlorophenyl)-N-[3-(2,3-difluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 67198028
N-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(3,5-difluorophenyl)acetamide
CID 67199795
N-[3-(3-bromophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(2,5-dimethylphenyl)acetamide
CID 67198546
N-(2-chlorophenyl)-N-[3-(2,3-dimethylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-yl]acetamide
CID 69007145
N-[4-[2-(benzylamino)pyrimidin-4-yl]-3-(4-fluorophenyl)-1,2-oxazol-5-yl]-N-(2-chlorophenyl)acetamide
CID 67196801
N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-thiophen-3-ylacetamide
CID 67197595
N-[3-(4-fluorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]-N-(3-propoxyphenyl)acetamide
CID 67196204
2-(2-chlorophenyl)-N-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide
CID 25005874
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
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-chlorophenyl)-N-[3-(3,5-dichlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-N-[3-(3,5-dichlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide (CID 67197420) is N-(2-chlorophenyl)-N-[3-(3,5-dichlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-N-[3-(3,5-dichlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-N-[3-(3,5-dichlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide is CC(=O)N(c1ccccc1Cl)c1onc(-c2cc(Cl)cc(Cl)c2)c1-c1ccncn1.
What is the InChIKey of N-(2-chlorophenyl)-N-[3-(3,5-dichlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
The InChIKey is JRGCNCGOCZKSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl3N4O2/c1-12(29)28(18-5-3-2-4-16(18)24)21-19(17-6-7-25-11-26-17)20(27-30-21)13-8-14(22)10-15(23)9-13/h2-11H,1H3.
What are the key properties of N-(2-chlorophenyl)-N-[3-(3,5-dichlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide?
N-(2-chlorophenyl)-N-[3-(3,5-dichlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide has a molecular weight of 459.72 g/mol, XLogP of 6.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-N-[3-(3,5-dichlorophenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 67197420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).