2-(4-bromophenoxy)-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide

C23H17BrCl2N2O3 — CID 43902672

IUPAC2-(4-bromophenoxy)-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1
InChIInChI=1S/C23H17BrCl2N2O3/c1-23(2,31-16-7-3-13(24)4-8-16)22(29)27-15-6-10-20-19(12-15)28-21(30-20)17-11-14(25)5-9-18(17)26/h3-12H,1-2H3,(H,27,29)
InChIKeyWGBDHQSAGIXIJN-UHFFFAOYSA-N
MW520.21 g/mol
LogP7.36
Rot. Bonds5

About 2-(4-bromophenoxy)-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide

2-(4-bromophenoxy)-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide (PubChem CID 43902672) has the molecular formula C23H17BrCl2N2O3 and a molecular weight of 520.21 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide
PubChem CID43902672
Molecular FormulaC23H17BrCl2N2O3
Molecular Weight520.21 g/mol
Exact Mass517.98
IUPAC Name2-(4-bromophenoxy)-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1
InChIInChI=1S/C23H17BrCl2N2O3/c1-23(2,31-16-7-3-13(24)4-8-16)22(29)27-15-6-10-20-19(12-15)28-21(30-20)17-11-14(25)5-9-18(17)26/h3-12H,1-2H3,(H,27,29)
InChIKeyWGBDHQSAGIXIJN-UHFFFAOYSA-N
XLogP7.36
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.21
LogP ≤ 57.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenoxy)-N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide
CID 43902670
2-(4-bromophenoxy)-2-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
CID 17098762
2-(4-chlorophenoxy)-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide
CID 4208368
N-[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]-2-methyl-2-phenoxypropanamide
CID 30308293
2-(4-chlorophenoxy)-N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide
CID 17110968
2-(4-chlorophenoxy)-2-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
CID 1256741
2-(4-bromophenoxy)-2-methyl-N-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]propanamide
CID 17163406
2-(4-bromophenoxy)-2-methyl-N-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]propanamide
CID 17313544
5-bromo-2-chloro-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 23821250
5-bromo-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide
CID 23967983
2-(4-chlorophenoxy)-2-methyl-N-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]propanamide
CID 17163407
2-(4-bromophenoxy)-N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide
CID 17274584

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide (CID 43902672) is 2-(4-bromophenoxy)-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide is CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide?
The InChIKey is WGBDHQSAGIXIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17BrCl2N2O3/c1-23(2,31-16-7-3-13(24)4-8-16)22(29)27-15-6-10-20-19(12-15)28-21(30-20)17-11-14(25)5-9-18(17)26/h3-12H,1-2H3,(H,27,29).
What are the key properties of 2-(4-bromophenoxy)-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide?
2-(4-bromophenoxy)-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide has a molecular weight of 520.21 g/mol, XLogP of 7.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide is sourced from PubChem (CID 43902672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).