N-[4-(2-chlorophenyl)-2-(2-hydroxy-4-naphthalen-1-ylphenyl)-1,3-oxazol-5-yl]benzamide

C32H21ClN2O3 — CID 139918004

IUPACN-[4-(2-chlorophenyl)-2-(2-hydroxy-4-naphthalen-1-ylphenyl)-1,3-oxazol-5-yl]benzamide
SMILESO=C(Nc1oc(-c2ccc(-c3cccc4ccccc34)cc2O)nc1-c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C32H21ClN2O3/c33-27-16-7-6-14-25(27)29-32(35-30(37)21-10-2-1-3-11-21)38-31(34-29)26-18-17-22(19-28(26)36)24-15-8-12-20-9-4-5-13-23(20)24/h1-19,36H,(H,35,37)
InChIKeyAVZWWWAUKRVMPI-UHFFFAOYSA-N
MW516.98 g/mol
LogP8.44
Rot. Bonds5

About N-[4-(2-chlorophenyl)-2-(2-hydroxy-4-naphthalen-1-ylphenyl)-1,3-oxazol-5-yl]benzamide

N-[4-(2-chlorophenyl)-2-(2-hydroxy-4-naphthalen-1-ylphenyl)-1,3-oxazol-5-yl]benzamide (PubChem CID 139918004) has the molecular formula C32H21ClN2O3 and a molecular weight of 516.98 g/mol. Its IUPAC name is N-[4-(2-chlorophenyl)-2-(2-hydroxy-4-naphthalen-1-ylphenyl)-1,3-oxazol-5-yl]benzamide.

Molecular Properties

Compound NameN-[4-(2-chlorophenyl)-2-(2-hydroxy-4-naphthalen-1-ylphenyl)-1,3-oxazol-5-yl]benzamide
PubChem CID139918004
Molecular FormulaC32H21ClN2O3
Molecular Weight516.98 g/mol
Exact Mass516.12
IUPAC NameN-[4-(2-chlorophenyl)-2-(2-hydroxy-4-naphthalen-1-ylphenyl)-1,3-oxazol-5-yl]benzamide
SMILESO=C(Nc1oc(-c2ccc(-c3cccc4ccccc34)cc2O)nc1-c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C32H21ClN2O3/c33-27-16-7-6-14-25(27)29-32(35-30(37)21-10-2-1-3-11-21)38-31(34-29)26-18-17-22(19-28(26)36)24-15-8-12-20-9-4-5-13-23(20)24/h1-19,36H,(H,35,37)
InChIKeyAVZWWWAUKRVMPI-UHFFFAOYSA-N
XLogP8.44
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.98
LogP ≤ 58.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-chlorophenyl)-2-(2-hydroxy-4-naphthalen-1-ylphenyl)-1,3-oxazol-5-yl]acetamide
CID 139917966
N-[4-(3-chlorophenyl)-2-(2-hydroxy-4-naphthalen-1-ylphenyl)-1,3-oxazol-5-yl]acetamide
CID 139918012
N-[4-(2-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]acetamide
CID 139917835
N-[2-[2-(3-hydroxyphenyl)phenyl]-4-thiophen-2-yl-1,3-oxazol-5-yl]benzamide
CID 57107564
N-[4-(2-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-2-(4-fluoro-2-hydroxyphenyl)acetamide
CID 139917923
N-[4-(2,6-dichlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-2-(2-hydroxy-4-methylphenyl)benzamide
CID 139917941
N-[4-(2-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-2-(2-hydroxy-4-methoxyphenyl)acetamide
CID 139918040
[5-naphthalen-1-yl-2-(trichloromethyl)phenyl]-phenylmethanone
CID 56610073
N-[4-(4-chlorophenyl)-2-[2-(2-hydroxyphenyl)phenyl]-1,3-oxazol-5-yl]acetamide
CID 139917864
N-[4-(2,6-dichlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-2-[2-hydroxy-4-(trifluoromethyl)phenyl]acetamide
CID 139917924
N-[4-(2,6-dichlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-2-(4-fluoro-2-hydroxyphenyl)acetamide
CID 139917925
N-[5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-(2-phenylphenyl)phenyl]naphthalene-1-carboxamide
CID 146548407

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chlorophenyl)-2-(2-hydroxy-4-naphthalen-1-ylphenyl)-1,3-oxazol-5-yl]benzamide?
The IUPAC name of N-[4-(2-chlorophenyl)-2-(2-hydroxy-4-naphthalen-1-ylphenyl)-1,3-oxazol-5-yl]benzamide (CID 139918004) is N-[4-(2-chlorophenyl)-2-(2-hydroxy-4-naphthalen-1-ylphenyl)-1,3-oxazol-5-yl]benzamide.
What is the SMILES notation for N-[4-(2-chlorophenyl)-2-(2-hydroxy-4-naphthalen-1-ylphenyl)-1,3-oxazol-5-yl]benzamide?
The canonical SMILES for N-[4-(2-chlorophenyl)-2-(2-hydroxy-4-naphthalen-1-ylphenyl)-1,3-oxazol-5-yl]benzamide is O=C(Nc1oc(-c2ccc(-c3cccc4ccccc34)cc2O)nc1-c1ccccc1Cl)c1ccccc1.
What is the InChIKey of N-[4-(2-chlorophenyl)-2-(2-hydroxy-4-naphthalen-1-ylphenyl)-1,3-oxazol-5-yl]benzamide?
The InChIKey is AVZWWWAUKRVMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21ClN2O3/c33-27-16-7-6-14-25(27)29-32(35-30(37)21-10-2-1-3-11-21)38-31(34-29)26-18-17-22(19-28(26)36)24-15-8-12-20-9-4-5-13-23(20)24/h1-19,36H,(H,35,37).
What are the key properties of N-[4-(2-chlorophenyl)-2-(2-hydroxy-4-naphthalen-1-ylphenyl)-1,3-oxazol-5-yl]benzamide?
N-[4-(2-chlorophenyl)-2-(2-hydroxy-4-naphthalen-1-ylphenyl)-1,3-oxazol-5-yl]benzamide has a molecular weight of 516.98 g/mol, XLogP of 8.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chlorophenyl)-2-(2-hydroxy-4-naphthalen-1-ylphenyl)-1,3-oxazol-5-yl]benzamide is sourced from PubChem (CID 139918004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).