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

C24H18Cl2N2O3 — CID 100502024

IUPACN-[(2,4-dichlorophenyl)methyl]-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
SMILESCOc1ccc(-c2cnc(-c3ccccc3C(=O)NCc3ccc(Cl)cc3Cl)o2)cc1
InChIInChI=1S/C24H18Cl2N2O3/c1-30-18-10-7-15(8-11-18)22-14-28-24(31-22)20-5-3-2-4-19(20)23(29)27-13-16-6-9-17(25)12-21(16)26/h2-12,14H,13H2,1H3,(H,27,29)
InChIKeyLHGPPPVWHVFTIB-UHFFFAOYSA-N
MW453.33 g/mol
LogP6.25
Rot. Bonds6

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

N-[(2,4-dichlorophenyl)methyl]-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide (PubChem CID 100502024) has the molecular formula C24H18Cl2N2O3 and a molecular weight of 453.33 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
PubChem CID100502024
Molecular FormulaC24H18Cl2N2O3
Molecular Weight453.33 g/mol
Exact Mass452.07
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
SMILESCOc1ccc(-c2cnc(-c3ccccc3C(=O)NCc3ccc(Cl)cc3Cl)o2)cc1
InChIInChI=1S/C24H18Cl2N2O3/c1-30-18-10-7-15(8-11-18)22-14-28-24(31-22)20-5-3-2-4-19(20)23(29)27-13-16-6-9-17(25)12-21(16)26/h2-12,14H,13H2,1H3,(H,27,29)
InChIKeyLHGPPPVWHVFTIB-UHFFFAOYSA-N
XLogP6.25
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.33
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(2,4-dichlorophenyl)methyl]benzamide
CID 100512579
2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-[(2,4-dichlorophenyl)methyl]benzamide
CID 100510696
N-[(2-chlorophenyl)methyl]-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100500156
N-(5-chloro-2-methylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100502448
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 100508849
N-[(4-chlorophenyl)methyl]-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100503954
2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylbenzamide
CID 100512374
N-(4-chloro-2,5-dimethoxyphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100503547
N-tert-butyl-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100501904
N-(2-fluorophenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100502310
2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-[(2R)-pentan-2-yl]benzamide
CID 100503337
2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-pentylbenzamide
CID 100513748

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide (CID 100502024) is N-[(2,4-dichlorophenyl)methyl]-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide is COc1ccc(-c2cnc(-c3ccccc3C(=O)NCc3ccc(Cl)cc3Cl)o2)cc1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide?
The InChIKey is LHGPPPVWHVFTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2N2O3/c1-30-18-10-7-15(8-11-18)22-14-28-24(31-22)20-5-3-2-4-19(20)23(29)27-13-16-6-9-17(25)12-21(16)26/h2-12,14H,13H2,1H3,(H,27,29).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide?
N-[(2,4-dichlorophenyl)methyl]-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide has a molecular weight of 453.33 g/mol, XLogP of 6.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide is sourced from PubChem (CID 100502024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).