N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide

C20H18BrClN2O3 — CID 30372016

IUPACN-(3-bromo-5-chloro-2-ethoxyphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESCCOc1c(Br)cc(Cl)cc1NC(=O)Cc1nc(-c2ccccc2)oc1C
InChIInChI=1S/C20H18BrClN2O3/c1-3-26-19-15(21)9-14(22)10-17(19)23-18(25)11-16-12(2)27-20(24-16)13-7-5-4-6-8-13/h4-10H,3,11H2,1-2H3,(H,23,25)
InChIKeyYHVXSIOJQZMSEO-UHFFFAOYSA-N
MW449.73 g/mol
LogP5.65
Rot. Bonds6

About N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide

N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide (PubChem CID 30372016) has the molecular formula C20H18BrClN2O3 and a molecular weight of 449.73 g/mol. Its IUPAC name is N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-bromo-5-chloro-2-ethoxyphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
PubChem CID30372016
Molecular FormulaC20H18BrClN2O3
Molecular Weight449.73 g/mol
Exact Mass448.02
IUPAC NameN-(3-bromo-5-chloro-2-ethoxyphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESCCOc1c(Br)cc(Cl)cc1NC(=O)Cc1nc(-c2ccccc2)oc1C
InChIInChI=1S/C20H18BrClN2O3/c1-3-26-19-15(21)9-14(22)10-17(19)23-18(25)11-16-12(2)27-20(24-16)13-7-5-4-6-8-13/h4-10H,3,11H2,1-2H3,(H,23,25)
InChIKeyYHVXSIOJQZMSEO-UHFFFAOYSA-N
XLogP5.65
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.73
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(2-chloro-4,6-dimethylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
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N-(3-chloro-4-methoxyphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
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N-(2-bromophenyl)-2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?
The IUPAC name of N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide (CID 30372016) is N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide.
What is the SMILES notation for N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?
The canonical SMILES for N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide is CCOc1c(Br)cc(Cl)cc1NC(=O)Cc1nc(-c2ccccc2)oc1C.
What is the InChIKey of N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?
The InChIKey is YHVXSIOJQZMSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrClN2O3/c1-3-26-19-15(21)9-14(22)10-17(19)23-18(25)11-16-12(2)27-20(24-16)13-7-5-4-6-8-13/h4-10H,3,11H2,1-2H3,(H,23,25).
What are the key properties of N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?
N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide has a molecular weight of 449.73 g/mol, XLogP of 5.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-chloro-2-ethoxyphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 30372016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).