2-(1,2-benzoxazol-3-yl)-N-[2-(3-chlorophenoxy)ethyl]acetamide

C17H15ClN2O3 — CID 47036473

IUPAC2-(1,2-benzoxazol-3-yl)-N-[2-(3-chlorophenoxy)ethyl]acetamide
SMILESO=C(Cc1noc2ccccc12)NCCOc1cccc(Cl)c1
InChIInChI=1S/C17H15ClN2O3/c18-12-4-3-5-13(10-12)22-9-8-19-17(21)11-15-14-6-1-2-7-16(14)23-20-15/h1-7,10H,8-9,11H2,(H,19,21)
InChIKeyHXSKGHMYCMFEQL-UHFFFAOYSA-N
MW330.77 g/mol
LogP3.22
Rot. Bonds6

About 2-(1,2-benzoxazol-3-yl)-N-[2-(3-chlorophenoxy)ethyl]acetamide

2-(1,2-benzoxazol-3-yl)-N-[2-(3-chlorophenoxy)ethyl]acetamide (PubChem CID 47036473) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-[2-(3-chlorophenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-[2-(3-chlorophenoxy)ethyl]acetamide
PubChem CID47036473
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-[2-(3-chlorophenoxy)ethyl]acetamide
SMILESO=C(Cc1noc2ccccc12)NCCOc1cccc(Cl)c1
InChIInChI=1S/C17H15ClN2O3/c18-12-4-3-5-13(10-12)22-9-8-19-17(21)11-15-14-6-1-2-7-16(14)23-20-15/h1-7,10H,8-9,11H2,(H,19,21)
InChIKeyHXSKGHMYCMFEQL-UHFFFAOYSA-N
XLogP3.22
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 46461744
2-amino-N-[2-(3-chlorophenoxy)ethyl]acetamide;hydrochloride
CID 119295694
2-(1,2-benzoxazol-3-yl)-N-[1-(2,4-dichlorophenyl)ethyl]acetamide
CID 51217461
N-[2-(3-chlorophenoxy)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55717207
N-(4-azidobutyl)-2-(1,2-benzoxazol-3-yl)acetamide
CID 106386734
2-(1,2-benzoxazol-3-yl)-N-(2-bromo-5-chlorophenyl)acetamide
CID 81260654
methyl N-[2-(3-chlorophenoxy)ethyl]carbamate
CID 14496172
N-[2-(3-chlorophenoxy)ethyl]acetamide;ethane
CID 177170822
4-amino-N-[2-(3-chlorophenoxy)ethyl]butanamide;hydrochloride
CID 119295708
2-(1,2-benzoxazol-3-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 46612175
2-(1,2-benzoxazol-3-yl)-N-(2,4,5-trichlorophenyl)acetamide
CID 35532893
2-(1,2-benzoxazol-3-yl)-N-(4-morpholin-4-ylbutyl)acetamide
CID 51082256

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[2-(3-chlorophenoxy)ethyl]acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[2-(3-chlorophenoxy)ethyl]acetamide (CID 47036473) is 2-(1,2-benzoxazol-3-yl)-N-[2-(3-chlorophenoxy)ethyl]acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-[2-(3-chlorophenoxy)ethyl]acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-[2-(3-chlorophenoxy)ethyl]acetamide is O=C(Cc1noc2ccccc12)NCCOc1cccc(Cl)c1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-[2-(3-chlorophenoxy)ethyl]acetamide?
The InChIKey is HXSKGHMYCMFEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3/c18-12-4-3-5-13(10-12)22-9-8-19-17(21)11-15-14-6-1-2-7-16(14)23-20-15/h1-7,10H,8-9,11H2,(H,19,21).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-[2-(3-chlorophenoxy)ethyl]acetamide?
2-(1,2-benzoxazol-3-yl)-N-[2-(3-chlorophenoxy)ethyl]acetamide has a molecular weight of 330.77 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-[2-(3-chlorophenoxy)ethyl]acetamide is sourced from PubChem (CID 47036473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).