N-[4-(2,6-dichlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-2-(2-hydroxy-4-methylphenyl)benzamide

C29H20Cl2N2O3 — CID 139917941

IUPACN-[4-(2,6-dichlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-2-(2-hydroxy-4-methylphenyl)benzamide
SMILESCc1ccc(-c2ccccc2C(=O)Nc2oc(-c3ccccc3)nc2-c2c(Cl)cccc2Cl)c(O)c1
InChIInChI=1S/C29H20Cl2N2O3/c1-17-14-15-20(24(34)16-17)19-10-5-6-11-21(19)27(35)33-29-26(25-22(30)12-7-13-23(25)31)32-28(36-29)18-8-3-2-4-9-18/h2-16,34H,1H3,(H,33,35)
InChIKeyGYBJYCVANJFZHJ-UHFFFAOYSA-N
MW515.40 g/mol
LogP8.25
Rot. Bonds5

About N-[4-(2,6-dichlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-2-(2-hydroxy-4-methylphenyl)benzamide

N-[4-(2,6-dichlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-2-(2-hydroxy-4-methylphenyl)benzamide (PubChem CID 139917941) has the molecular formula C29H20Cl2N2O3 and a molecular weight of 515.40 g/mol. Its IUPAC name is N-[4-(2,6-dichlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-2-(2-hydroxy-4-methylphenyl)benzamide.

Molecular Properties

Compound NameN-[4-(2,6-dichlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-2-(2-hydroxy-4-methylphenyl)benzamide
PubChem CID139917941
Molecular FormulaC29H20Cl2N2O3
Molecular Weight515.40 g/mol
Exact Mass514.09
IUPAC NameN-[4-(2,6-dichlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-2-(2-hydroxy-4-methylphenyl)benzamide
SMILESCc1ccc(-c2ccccc2C(=O)Nc2oc(-c3ccccc3)nc2-c2c(Cl)cccc2Cl)c(O)c1
InChIInChI=1S/C29H20Cl2N2O3/c1-17-14-15-20(24(34)16-17)19-10-5-6-11-21(19)27(35)33-29-26(25-22(30)12-7-13-23(25)31)32-28(36-29)18-8-3-2-4-9-18/h2-16,34H,1H3,(H,33,35)
InChIKeyGYBJYCVANJFZHJ-UHFFFAOYSA-N
XLogP8.25
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.40
LogP ≤ 58.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2,6-dichlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-2-(4-fluoro-2-hydroxyphenyl)acetamide
CID 139917925
N-[4-(2-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]acetamide
CID 139917835
N-[4-(2,6-dichlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-2-[2-hydroxy-4-(trifluoromethyl)phenyl]acetamide
CID 139917924
N-[4-(2-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-2-(4-fluoro-2-hydroxyphenyl)acetamide
CID 139917923
N-[4-(2-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-2-(2-hydroxy-4-methoxyphenyl)acetamide
CID 139918040
N-[4-(2-chlorophenyl)-2-(2-hydroxy-4-naphthalen-1-ylphenyl)-1,3-oxazol-5-yl]benzamide
CID 139918004
N-(2,6-dichlorophenyl)-2-phenylbenzamide
CID 2227339
2-chloro-N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 23961409
2-chloro-N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16821770
2,3-dichloro-N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 2282158
2-(4-chloro-2-hydroxyphenyl)-N-[4-(4-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]acetamide
CID 139918056
N-(2-chloro-6-methylphenyl)-2-hydroxy-4-methylbenzamide
CID 66255531

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dichlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-2-(2-hydroxy-4-methylphenyl)benzamide?
The IUPAC name of N-[4-(2,6-dichlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-2-(2-hydroxy-4-methylphenyl)benzamide (CID 139917941) is N-[4-(2,6-dichlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-2-(2-hydroxy-4-methylphenyl)benzamide.
What is the SMILES notation for N-[4-(2,6-dichlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-2-(2-hydroxy-4-methylphenyl)benzamide?
The canonical SMILES for N-[4-(2,6-dichlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-2-(2-hydroxy-4-methylphenyl)benzamide is Cc1ccc(-c2ccccc2C(=O)Nc2oc(-c3ccccc3)nc2-c2c(Cl)cccc2Cl)c(O)c1.
What is the InChIKey of N-[4-(2,6-dichlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-2-(2-hydroxy-4-methylphenyl)benzamide?
The InChIKey is GYBJYCVANJFZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20Cl2N2O3/c1-17-14-15-20(24(34)16-17)19-10-5-6-11-21(19)27(35)33-29-26(25-22(30)12-7-13-23(25)31)32-28(36-29)18-8-3-2-4-9-18/h2-16,34H,1H3,(H,33,35).
What are the key properties of N-[4-(2,6-dichlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-2-(2-hydroxy-4-methylphenyl)benzamide?
N-[4-(2,6-dichlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-2-(2-hydroxy-4-methylphenyl)benzamide has a molecular weight of 515.40 g/mol, XLogP of 8.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-dichlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-2-(2-hydroxy-4-methylphenyl)benzamide is sourced from PubChem (CID 139917941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).