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

C22H17ClN2O3 — CID 1364193

IUPACN-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-chloro-2-methylphenoxy)acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)Nc1cccc(-c2nc3ccccc3o2)c1
InChIInChI=1S/C22H17ClN2O3/c1-14-11-16(23)9-10-19(14)27-13-21(26)24-17-6-4-5-15(12-17)22-25-18-7-2-3-8-20(18)28-22/h2-12H,13H2,1H3,(H,24,26)
InChIKeySTLRJXSDSBEEGU-UHFFFAOYSA-N
MW392.84 g/mol
LogP5.47
Rot. Bonds5

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

N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-chloro-2-methylphenoxy)acetamide (PubChem CID 1364193) has the molecular formula C22H17ClN2O3 and a molecular weight of 392.84 g/mol. Its IUPAC name is N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-chloro-2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-chloro-2-methylphenoxy)acetamide
PubChem CID1364193
Molecular FormulaC22H17ClN2O3
Molecular Weight392.84 g/mol
Exact Mass392.09
IUPAC NameN-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-chloro-2-methylphenoxy)acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)Nc1cccc(-c2nc3ccccc3o2)c1
InChIInChI=1S/C22H17ClN2O3/c1-14-11-16(23)9-10-19(14)27-13-21(26)24-17-6-4-5-15(12-17)22-25-18-7-2-3-8-20(18)28-22/h2-12H,13H2,1H3,(H,24,26)
InChIKeySTLRJXSDSBEEGU-UHFFFAOYSA-N
XLogP5.47
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.84
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-2-(4-chloro-2-methylphenoxy)acetamide
CID 27235913
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-2-(4-chloro-2-methylphenoxy)acetamide
CID 2282003
N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-[2-[(2S)-butan-2-yl]phenoxy]acetamide
CID 7315892
N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 23761603
N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 39380313
N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(2-methylphenoxy)acetamide
CID 1372017
N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(2,4-dimethylphenyl)acetamide
CID 7596926
2-(4-chlorophenoxy)-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 2286309
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2,6-dimethylphenoxy)acetamide
CID 1026063
2-(2,6-dimethylphenoxy)-N-[3-(4-oxo-3,1-benzoxazin-2-yl)phenyl]acetamide
CID 1331226
2-(2,4-dimethylphenoxy)-N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]acetamide
CID 23962463
N-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 23741815

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-chloro-2-methylphenoxy)acetamide?
The IUPAC name of N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-chloro-2-methylphenoxy)acetamide (CID 1364193) is N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-chloro-2-methylphenoxy)acetamide.
What is the SMILES notation for N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-chloro-2-methylphenoxy)acetamide?
The canonical SMILES for N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-chloro-2-methylphenoxy)acetamide is Cc1cc(Cl)ccc1OCC(=O)Nc1cccc(-c2nc3ccccc3o2)c1.
What is the InChIKey of N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-chloro-2-methylphenoxy)acetamide?
The InChIKey is STLRJXSDSBEEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O3/c1-14-11-16(23)9-10-19(14)27-13-21(26)24-17-6-4-5-15(12-17)22-25-18-7-2-3-8-20(18)28-22/h2-12H,13H2,1H3,(H,24,26).
What are the key properties of N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-chloro-2-methylphenoxy)acetamide?
N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-chloro-2-methylphenoxy)acetamide has a molecular weight of 392.84 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-chloro-2-methylphenoxy)acetamide is sourced from PubChem (CID 1364193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).