N-[2-(4-methoxyphenoxy)ethyl]-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide

C18H18N2O5 — CID 110773997

IUPACN-[2-(4-methoxyphenoxy)ethyl]-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
SMILESCOc1ccc(OCCNC(=O)Cc2ccc3oc(=O)[nH]c3c2)cc1
InChIInChI=1S/C18H18N2O5/c1-23-13-3-5-14(6-4-13)24-9-8-19-17(21)11-12-2-7-16-15(10-12)20-18(22)25-16/h2-7,10H,8-9,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyUNYVZWAKOHXDMR-UHFFFAOYSA-N
MW342.35 g/mol
LogP1.87
Rot. Bonds7

About N-[2-(4-methoxyphenoxy)ethyl]-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide

N-[2-(4-methoxyphenoxy)ethyl]-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide (PubChem CID 110773997) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
PubChem CID110773997
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
SMILESCOc1ccc(OCCNC(=O)Cc2ccc3oc(=O)[nH]c3c2)cc1
InChIInChI=1S/C18H18N2O5/c1-23-13-3-5-14(6-4-13)24-9-8-19-17(21)11-12-2-7-16-15(10-12)20-18(22)25-16/h2-7,10H,8-9,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyUNYVZWAKOHXDMR-UHFFFAOYSA-N
XLogP1.87
TPSA93.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(4-methoxyphenoxy)ethyl]-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,3-benzodioxol-5-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 110767410
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 26710403
N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]-2-phenoxyacetamide
CID 110665315
N-[2-(3-methoxyphenoxy)ethyl]-2-(4-methoxyphenyl)acetamide
CID 46399940
methyl 3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropanoate
CID 84578757
N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2-oxo-3H-1,3-benzoxazole-5-carboxamide
CID 46968281
2-(2-fluorophenyl)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide
CID 110665351
3-chloro-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]propanamide
CID 115162652
N-[2-(4-methylphenoxy)ethyl]-2-(4-methylphenyl)acetamide
CID 40724453
2-(furan-2-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 110690655
N-[2-(4-methoxyphenoxy)ethyl]-2-(2-methoxyphenyl)acetamide
CID 18119172
2-(4-chlorophenyl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]acetamide
CID 113102048

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide (CID 110773997) is N-[2-(4-methoxyphenoxy)ethyl]-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide is COc1ccc(OCCNC(=O)Cc2ccc3oc(=O)[nH]c3c2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide?
The InChIKey is UNYVZWAKOHXDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-23-13-3-5-14(6-4-13)24-9-8-19-17(21)11-12-2-7-16-15(10-12)20-18(22)25-16/h2-7,10H,8-9,11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide?
N-[2-(4-methoxyphenoxy)ethyl]-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide has a molecular weight of 342.35 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide is sourced from PubChem (CID 110773997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).