N-[4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide

C22H16Cl2N2O3 — CID 1316302

IUPACN-[4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1
InChIInChI=1S/C22H16Cl2N2O3/c1-13-4-2-3-5-19(13)28-12-20(27)25-16-8-6-14(7-9-16)22-26-18-11-15(23)10-17(24)21(18)29-22/h2-11H,12H2,1H3,(H,25,27)
InChIKeyPCTKZYXDBNHYTO-UHFFFAOYSA-N
MW427.29 g/mol
LogP6.13
Rot. Bonds5

About N-[4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide

N-[4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide (PubChem CID 1316302) has the molecular formula C22H16Cl2N2O3 and a molecular weight of 427.29 g/mol. Its IUPAC name is N-[4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide
PubChem CID1316302
Molecular FormulaC22H16Cl2N2O3
Molecular Weight427.29 g/mol
Exact Mass426.05
IUPAC NameN-[4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1
InChIInChI=1S/C22H16Cl2N2O3/c1-13-4-2-3-5-19(13)28-12-20(27)25-16-8-6-14(7-9-16)22-26-18-11-15(23)10-17(24)21(18)29-22/h2-11H,12H2,1H3,(H,25,27)
InChIKeyPCTKZYXDBNHYTO-UHFFFAOYSA-N
XLogP6.13
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.29
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide (CID 1316302) is N-[4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)Nc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1.
What is the InChIKey of N-[4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide?
The InChIKey is PCTKZYXDBNHYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N2O3/c1-13-4-2-3-5-19(13)28-12-20(27)25-16-8-6-14(7-9-16)22-26-18-11-15(23)10-17(24)21(18)29-22/h2-11H,12H2,1H3,(H,25,27).
What are the key properties of N-[4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide?
N-[4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide has a molecular weight of 427.29 g/mol, XLogP of 6.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 1316302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).