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

C22H17ClN2O3 — CID 2972254

IUPACN-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2)cc1
InChIInChI=1S/C22H17ClN2O3/c1-27-18-8-5-14(6-9-18)11-21(26)24-17-4-2-3-15(12-17)22-25-19-13-16(23)7-10-20(19)28-22/h2-10,12-13H,11H2,1H3,(H,24,26)
InChIKeyOMERPGYXCPRDKN-UHFFFAOYSA-N
MW392.84 g/mol
LogP5.34
Rot. Bonds5

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

N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 2972254) has the molecular formula C22H17ClN2O3 and a molecular weight of 392.84 g/mol. Its IUPAC name is N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(4-methoxyphenyl)acetamide
PubChem CID2972254
Molecular FormulaC22H17ClN2O3
Molecular Weight392.84 g/mol
Exact Mass392.09
IUPAC NameN-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2)cc1
InChIInChI=1S/C22H17ClN2O3/c1-27-18-8-5-14(6-9-18)11-21(26)24-17-4-2-3-15(12-17)22-25-19-13-16(23)7-10-20(19)28-22/h2-10,12-13H,11H2,1H3,(H,24,26)
InChIKeyOMERPGYXCPRDKN-UHFFFAOYSA-N
XLogP5.34
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 ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(4-methoxyphenyl)acetamide (CID 2972254) is N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2)cc1.
What is the InChIKey of N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is OMERPGYXCPRDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O3/c1-27-18-8-5-14(6-9-18)11-21(26)24-17-4-2-3-15(12-17)22-25-19-13-16(23)7-10-20(19)28-22/h2-10,12-13H,11H2,1H3,(H,24,26).
What are the key properties of N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(4-methoxyphenyl)acetamide?
N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 392.84 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 2972254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).