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

C22H18N2O3 — CID 1341154

IUPACN-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1
InChIInChI=1S/C22H18N2O3/c1-26-18-11-9-15(10-12-18)13-21(25)23-17-6-4-5-16(14-17)22-24-19-7-2-3-8-20(19)27-22/h2-12,14H,13H2,1H3,(H,23,25)
InChIKeyPBSXMFHOQFQSKG-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.68
Rot. Bonds5

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

N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 1341154) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-methoxyphenyl)acetamide
PubChem CID1341154
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC NameN-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1
InChIInChI=1S/C22H18N2O3/c1-26-18-11-9-15(10-12-18)13-21(25)23-17-6-4-5-16(14-17)22-24-19-7-2-3-8-20(19)27-22/h2-12,14H,13H2,1H3,(H,23,25)
InChIKeyPBSXMFHOQFQSKG-UHFFFAOYSA-N
XLogP4.68
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-methoxyphenyl)acetamide (CID 1341154) is N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1.
What is the InChIKey of N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is PBSXMFHOQFQSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c1-26-18-11-9-15(10-12-18)13-21(25)23-17-6-4-5-16(14-17)22-24-19-7-2-3-8-20(19)27-22/h2-12,14H,13H2,1H3,(H,23,25).
What are the key properties of N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-methoxyphenyl)acetamide?
N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 358.40 g/mol, XLogP of 4.68, 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-methoxyphenyl)acetamide is sourced from PubChem (CID 1341154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).