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

C23H16Cl2N2O3 — CID 100500666

IUPACN-(3,5-dichlorophenyl)-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
SMILESCOc1cccc(-c2cnc(-c3ccccc3C(=O)Nc3cc(Cl)cc(Cl)c3)o2)c1
InChIInChI=1S/C23H16Cl2N2O3/c1-29-18-6-4-5-14(9-18)21-13-26-23(30-21)20-8-3-2-7-19(20)22(28)27-17-11-15(24)10-16(25)12-17/h2-13H,1H3,(H,27,28)
InChIKeyAIHLVHYLAJENKH-UHFFFAOYSA-N
MW439.30 g/mol
LogP6.58
Rot. Bonds5

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

N-(3,5-dichlorophenyl)-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide (PubChem CID 100500666) has the molecular formula C23H16Cl2N2O3 and a molecular weight of 439.30 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
PubChem CID100500666
Molecular FormulaC23H16Cl2N2O3
Molecular Weight439.30 g/mol
Exact Mass438.05
IUPAC NameN-(3,5-dichlorophenyl)-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
SMILESCOc1cccc(-c2cnc(-c3ccccc3C(=O)Nc3cc(Cl)cc(Cl)c3)o2)c1
InChIInChI=1S/C23H16Cl2N2O3/c1-29-18-6-4-5-14(9-18)21-13-26-23(30-21)20-8-3-2-7-19(20)22(28)27-17-11-15(24)10-16(25)12-17/h2-13H,1H3,(H,27,28)
InChIKeyAIHLVHYLAJENKH-UHFFFAOYSA-N
XLogP6.58
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.30
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxyphenyl)-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100500843
N-(2,3-dichlorophenyl)-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100500618
2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-N-(2-methylphenyl)benzamide
CID 100500293
N-[(2-chlorophenyl)methyl]-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100500156
N-butan-2-yl-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 133150062
2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-N-[(2S)-pentan-2-yl]benzamide
CID 100501417
2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-N-[(2R)-pentan-2-yl]benzamide
CID 100501410
2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(3-methoxyphenyl)benzamide
CID 100507572
N-(3-chlorophenyl)-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100504316
2-[5-(3-bromophenyl)-1,3-oxazol-2-yl]-N-(4-chlorophenyl)benzamide
CID 100511057
N-(3-bromophenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100502390
N-(5-chloro-2-methylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100502448

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide (CID 100500666) is N-(3,5-dichlorophenyl)-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide is COc1cccc(-c2cnc(-c3ccccc3C(=O)Nc3cc(Cl)cc(Cl)c3)o2)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide?
The InChIKey is AIHLVHYLAJENKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2N2O3/c1-29-18-6-4-5-14(9-18)21-13-26-23(30-21)20-8-3-2-7-19(20)22(28)27-17-11-15(24)10-16(25)12-17/h2-13H,1H3,(H,27,28).
What are the key properties of N-(3,5-dichlorophenyl)-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide?
N-(3,5-dichlorophenyl)-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide has a molecular weight of 439.30 g/mol, XLogP of 6.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide is sourced from PubChem (CID 100500666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).