2-(4-chlorophenoxy)-N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide

C23H18Cl2N2O3 — CID 17110968

IUPAC2-(4-chlorophenoxy)-N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1
InChIInChI=1S/C23H18Cl2N2O3/c1-23(2,30-18-9-6-15(24)7-10-18)22(28)26-17-8-11-20-19(13-17)27-21(29-20)14-4-3-5-16(25)12-14/h3-13H,1-2H3,(H,26,28)
InChIKeyVVQMCYVCJSUKJH-UHFFFAOYSA-N
MW441.31 g/mol
LogP6.60
Rot. Bonds5

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

2-(4-chlorophenoxy)-N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide (PubChem CID 17110968) has the molecular formula C23H18Cl2N2O3 and a molecular weight of 441.31 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide
PubChem CID17110968
Molecular FormulaC23H18Cl2N2O3
Molecular Weight441.31 g/mol
Exact Mass440.07
IUPAC Name2-(4-chlorophenoxy)-N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1
InChIInChI=1S/C23H18Cl2N2O3/c1-23(2,30-18-9-6-15(24)7-10-18)22(28)26-17-8-11-20-19(13-17)27-21(29-20)14-4-3-5-16(25)12-14/h3-13H,1-2H3,(H,26,28)
InChIKeyVVQMCYVCJSUKJH-UHFFFAOYSA-N
XLogP6.60
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.31
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-2-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
CID 1256741
2-(4-chlorophenoxy)-2-methyl-N-[2-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-5-yl]propanamide
CID 17163407
2-(4-chlorophenoxy)-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide
CID 4208368
2-(4-bromophenoxy)-2-methyl-N-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]propanamide
CID 17313544
2-(4-bromophenoxy)-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide
CID 43902672
2-(4-bromophenoxy)-N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide
CID 17274584
N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methyl-2-phenoxypropanamide
CID 30308653
2-(4-tert-butylphenoxy)-N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide
CID 17274732
2-(4-bromophenoxy)-2-methyl-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
CID 17098762
2-(4-bromophenoxy)-N-[2-(2,3-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide
CID 43902670
N-[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]-2-methyl-2-phenoxypropanamide
CID 30308293
N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]-2-methyl-2-phenoxypropanamide
CID 30308147

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide (CID 17110968) is 2-(4-chlorophenoxy)-N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide is CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide?
The InChIKey is VVQMCYVCJSUKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N2O3/c1-23(2,30-18-9-6-15(24)7-10-18)22(28)26-17-8-11-20-19(13-17)27-21(29-20)14-4-3-5-16(25)12-14/h3-13H,1-2H3,(H,26,28).
What are the key properties of 2-(4-chlorophenoxy)-N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide?
2-(4-chlorophenoxy)-N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide has a molecular weight of 441.31 g/mol, XLogP of 6.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-2-methylpropanamide is sourced from PubChem (CID 17110968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).