N-[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-(3,4-dimethylphenoxy)acetamide

C25H23ClN2O3 — CID 23798841

IUPACN-[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-(3,4-dimethylphenoxy)acetamide
SMILESCCc1ccc2oc(-c3cc(NC(=O)COc4ccc(C)c(C)c4)ccc3Cl)nc2c1
InChIInChI=1S/C25H23ClN2O3/c1-4-17-6-10-23-22(12-17)28-25(31-23)20-13-18(7-9-21(20)26)27-24(29)14-30-19-8-5-15(2)16(3)11-19/h5-13H,4,14H2,1-3H3,(H,27,29)
InChIKeyLQJSROJIPMKHNS-UHFFFAOYSA-N
MW434.92 g/mol
LogP6.34
Rot. Bonds6

About N-[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-(3,4-dimethylphenoxy)acetamide

N-[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-(3,4-dimethylphenoxy)acetamide (PubChem CID 23798841) has the molecular formula C25H23ClN2O3 and a molecular weight of 434.92 g/mol. Its IUPAC name is N-[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-(3,4-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-(3,4-dimethylphenoxy)acetamide
PubChem CID23798841
Molecular FormulaC25H23ClN2O3
Molecular Weight434.92 g/mol
Exact Mass434.14
IUPAC NameN-[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-(3,4-dimethylphenoxy)acetamide
SMILESCCc1ccc2oc(-c3cc(NC(=O)COc4ccc(C)c(C)c4)ccc3Cl)nc2c1
InChIInChI=1S/C25H23ClN2O3/c1-4-17-6-10-23-22(12-17)28-25(31-23)20-13-18(7-9-21(20)26)27-24(29)14-30-19-8-5-15(2)16(3)11-19/h5-13H,4,14H2,1-3H3,(H,27,29)
InChIKeyLQJSROJIPMKHNS-UHFFFAOYSA-N
XLogP6.34
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.92
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(5-butan-2-yl-1,3-benzoxazol-2-yl)-4-chlorophenyl]-2-(3,4-dimethylphenoxy)acetamide
CID 4102462
N-[2-(2-chloro-4,5-difluorophenyl)-1,3-benzoxazol-5-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 21214900
N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-2-(4-ethylphenoxy)acetamide
CID 1323035
N-[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide
CID 2275762
N-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 23741815
2-(4-tert-butylphenoxy)-N-[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 2721135
2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 3382026
N-[[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 3903010
2-(4-ethylphenoxy)-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)acetamide
CID 4595683
N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(4-ethylphenoxy)acetamide
CID 46231324
N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(3,4-dimethylphenoxy)acetamide
CID 1333954
2-(4-ethylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
CID 1323526

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-(3,4-dimethylphenoxy)acetamide?
The IUPAC name of N-[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-(3,4-dimethylphenoxy)acetamide (CID 23798841) is N-[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-(3,4-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-(3,4-dimethylphenoxy)acetamide?
The canonical SMILES for N-[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-(3,4-dimethylphenoxy)acetamide is CCc1ccc2oc(-c3cc(NC(=O)COc4ccc(C)c(C)c4)ccc3Cl)nc2c1.
What is the InChIKey of N-[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-(3,4-dimethylphenoxy)acetamide?
The InChIKey is LQJSROJIPMKHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O3/c1-4-17-6-10-23-22(12-17)28-25(31-23)20-13-18(7-9-21(20)26)27-24(29)14-30-19-8-5-15(2)16(3)11-19/h5-13H,4,14H2,1-3H3,(H,27,29).
What are the key properties of N-[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-(3,4-dimethylphenoxy)acetamide?
N-[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-(3,4-dimethylphenoxy)acetamide has a molecular weight of 434.92 g/mol, XLogP of 6.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-2-(3,4-dimethylphenoxy)acetamide is sourced from PubChem (CID 23798841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).