N-(2,5-dichlorophenyl)-2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzamide

C22H13Cl2FN2O2 — CID 100505980

IUPACN-(2,5-dichlorophenyl)-2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C22H13Cl2FN2O2/c23-14-7-10-18(24)19(11-14)27-21(28)16-3-1-2-4-17(16)22-26-12-20(29-22)13-5-8-15(25)9-6-13/h1-12H,(H,27,28)
InChIKeyZOXPOLNCBROAFV-UHFFFAOYSA-N
MW427.26 g/mol
LogP6.71
Rot. Bonds4

About N-(2,5-dichlorophenyl)-2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzamide

N-(2,5-dichlorophenyl)-2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzamide (PubChem CID 100505980) has the molecular formula C22H13Cl2FN2O2 and a molecular weight of 427.26 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzamide
PubChem CID100505980
Molecular FormulaC22H13Cl2FN2O2
Molecular Weight427.26 g/mol
Exact Mass426.03
IUPAC NameN-(2,5-dichlorophenyl)-2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C22H13Cl2FN2O2/c23-14-7-10-18(24)19(11-14)27-21(28)16-3-1-2-4-17(16)22-26-12-20(29-22)13-5-8-15(25)9-6-13/h1-12H,(H,27,28)
InChIKeyZOXPOLNCBROAFV-UHFFFAOYSA-N
XLogP6.71
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.26
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzamide
CID 100506108
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzamide
CID 100506441
2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(2,5-dichlorophenyl)benzamide
CID 100511182
2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-phenylbenzamide
CID 36704097
2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methylsulfanylphenyl)benzamide
CID 100506347
N-(5-chloro-2-methylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100502448
methyl 2-[[2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]benzoyl]amino]-4,5-dimethoxybenzoate
CID 100514052
2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methoxyphenyl)benzamide
CID 36703629
2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(2,4-dichlorophenyl)methyl]benzamide
CID 100512579
N-(2-fluorophenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100502310
2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3,4-dimethylphenyl)benzamide
CID 100512790
2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylbenzamide
CID 100512374

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzamide (CID 100505980) is N-(2,5-dichlorophenyl)-2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzamide is O=C(Nc1cc(Cl)ccc1Cl)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzamide?
The InChIKey is ZOXPOLNCBROAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13Cl2FN2O2/c23-14-7-10-18(24)19(11-14)27-21(28)16-3-1-2-4-17(16)22-26-12-20(29-22)13-5-8-15(25)9-6-13/h1-12H,(H,27,28).
What are the key properties of N-(2,5-dichlorophenyl)-2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzamide?
N-(2,5-dichlorophenyl)-2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzamide has a molecular weight of 427.26 g/mol, XLogP of 6.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzamide is sourced from PubChem (CID 100505980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).