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

C22H18N2O4 — CID 1296394

IUPACN-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)Nc1cccc(-c2nc3ccccc3o2)c1
InChIInChI=1S/C22H18N2O4/c1-26-19-11-4-5-12-20(19)27-14-21(25)23-16-8-6-7-15(13-16)22-24-17-9-2-3-10-18(17)28-22/h2-13H,14H2,1H3,(H,23,25)
InChIKeyGFXHLWPVRYYPJB-UHFFFAOYSA-N
MW374.40 g/mol
LogP4.52
Rot. Bonds6

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

N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(2-methoxyphenoxy)acetamide (PubChem CID 1296394) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(2-methoxyphenoxy)acetamide
PubChem CID1296394
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC NameN-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)Nc1cccc(-c2nc3ccccc3o2)c1
InChIInChI=1S/C22H18N2O4/c1-26-19-11-4-5-12-20(19)27-14-21(25)23-16-8-6-7-15(13-16)22-24-17-9-2-3-10-18(17)28-22/h2-13H,14H2,1H3,(H,23,25)
InChIKeyGFXHLWPVRYYPJB-UHFFFAOYSA-N
XLogP4.52
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(2-methoxyphenoxy)acetamide (CID 1296394) is N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)Nc1cccc(-c2nc3ccccc3o2)c1.
What is the InChIKey of N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is GFXHLWPVRYYPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4/c1-26-19-11-4-5-12-20(19)27-14-21(25)23-16-8-6-7-15(13-16)22-24-17-9-2-3-10-18(17)28-22/h2-13H,14H2,1H3,(H,23,25).
What are the key properties of N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(2-methoxyphenoxy)acetamide?
N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 374.40 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzoxazol-2-yl)phenyl]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 1296394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).