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

C22H17ClN2O3 — CID 1369980

IUPACN-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1
InChIInChI=1S/C22H17ClN2O3/c1-14-4-2-3-5-19(14)27-13-21(26)24-17-9-6-15(7-10-17)22-25-18-12-16(23)8-11-20(18)28-22/h2-12H,13H2,1H3,(H,24,26)
InChIKeyWKMYRABSTSFCBR-UHFFFAOYSA-N
MW392.84 g/mol
LogP5.47
Rot. Bonds5

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

N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide (PubChem CID 1369980) has the molecular formula C22H17ClN2O3 and a molecular weight of 392.84 g/mol. Its IUPAC name is N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide
PubChem CID1369980
Molecular FormulaC22H17ClN2O3
Molecular Weight392.84 g/mol
Exact Mass392.09
IUPAC NameN-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1
InChIInChI=1S/C22H17ClN2O3/c1-14-4-2-3-5-19(14)27-13-21(26)24-17-9-6-15(7-10-17)22-25-18-12-16(23)8-11-20(18)28-22/h2-12H,13H2,1H3,(H,24,26)
InChIKeyWKMYRABSTSFCBR-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

Benzenamine, 4-(2-benzoxazolyl)-
CID 88733
4-(5-Methyl-1,3-benzoxazol-2-YL)phenylamine
CID 350189
2-(4-Chlorophenyl)benzoxazole
CID 14355
3-(5-Chloro-2-benzoxazolyl)benzenamine
CID 721056
4-(5-Chloro-1,3-benzoxazol-2-YL)phenylamine
CID 721058
N-[4-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamoyl]phenyl]-1-benzofuran-2-carboxamide
CID 1369939
N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 401582
5-ethyl-6-methyl-3-[2-(7-methyl-1,3-benzoxazol-2-yl)ethyl]-1H-pyridin-2-one
CID 454804
N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 762785
4-(5-Ethyl-benzooxazol-2-yl)-phenylamine
CID 735943
Benzoxazole, 5-chloro-2-phenyl-
CID 773072
N-(p-(2-Benzoxazolyl)phenyl)maleimide
CID 85555

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide (CID 1369980) is N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1.
What is the InChIKey of N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide?
The InChIKey is WKMYRABSTSFCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O3/c1-14-4-2-3-5-19(14)27-13-21(26)24-17-9-6-15(7-10-17)22-25-18-12-16(23)8-11-20(18)28-22/h2-12H,13H2,1H3,(H,24,26).
What are the key properties of N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide?
N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(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-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 1369980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).