N-(4-bromophenyl)-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide

C24H19BrN2O3 — CID 100504365

IUPACN-(4-bromophenyl)-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide
SMILESCCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(Br)cc3)o2)cc1
InChIInChI=1S/C24H19BrN2O3/c1-2-29-19-13-7-16(8-14-19)22-15-26-24(30-22)21-6-4-3-5-20(21)23(28)27-18-11-9-17(25)10-12-18/h3-15H,2H2,1H3,(H,27,28)
InChIKeyBGMMPWNAEGCHKI-UHFFFAOYSA-N
MW463.33 g/mol
LogP6.42
Rot. Bonds6

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

N-(4-bromophenyl)-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide (PubChem CID 100504365) has the molecular formula C24H19BrN2O3 and a molecular weight of 463.33 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide
PubChem CID100504365
Molecular FormulaC24H19BrN2O3
Molecular Weight463.33 g/mol
Exact Mass462.06
IUPAC NameN-(4-bromophenyl)-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide
SMILESCCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(Br)cc3)o2)cc1
InChIInChI=1S/C24H19BrN2O3/c1-2-29-19-13-7-16(8-14-19)22-15-26-24(30-22)21-6-4-3-5-20(21)23(28)27-18-11-9-17(25)10-12-18/h3-15H,2H2,1H3,(H,27,28)
InChIKeyBGMMPWNAEGCHKI-UHFFFAOYSA-N
XLogP6.42
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.33
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-phenylbenzamide
CID 100504090
ethyl 4-[[2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]benzoyl]amino]benzoate
CID 100509677
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(4-phenoxyphenyl)benzamide
CID 100509537
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-[4-(trifluoromethyl)phenyl]benzamide
CID 100504594
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-(4-sulfamoylphenyl)benzamide
CID 100504854
N-(3-chlorophenyl)-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100504316
N-(4-ethoxyphenyl)-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100500843
N-(3-acetylphenyl)-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100504867
N-(4-ethylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100502272
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-(3,4-dimethylphenyl)benzamide
CID 100509056
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzoic acid
CID 100503714
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-naphthalen-1-ylbenzamide
CID 100504250

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide?
The IUPAC name of N-(4-bromophenyl)-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide (CID 100504365) is N-(4-bromophenyl)-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide?
The canonical SMILES for N-(4-bromophenyl)-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide is CCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(Br)cc3)o2)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide?
The InChIKey is BGMMPWNAEGCHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19BrN2O3/c1-2-29-19-13-7-16(8-14-19)22-15-26-24(30-22)21-6-4-3-5-20(21)23(28)27-18-11-9-17(25)10-12-18/h3-15H,2H2,1H3,(H,27,28).
What are the key properties of N-(4-bromophenyl)-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide?
N-(4-bromophenyl)-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide has a molecular weight of 463.33 g/mol, XLogP of 6.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide is sourced from PubChem (CID 100504365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).