2-(2-chlorophenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide

C17H14ClN3O3 — CID 2985700

IUPAC2-(2-chlorophenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESO=C(COc1ccccc1Cl)NCc1nc(-c2ccccc2)no1
InChIInChI=1S/C17H14ClN3O3/c18-13-8-4-5-9-14(13)23-11-15(22)19-10-16-20-17(21-24-16)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,22)
InChIKeyKDEUFJUQSIWBRQ-UHFFFAOYSA-N
MW343.77 g/mol
LogP3.09
Rot. Bonds6

About 2-(2-chlorophenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide

2-(2-chlorophenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide (PubChem CID 2985700) has the molecular formula C17H14ClN3O3 and a molecular weight of 343.77 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
PubChem CID2985700
Molecular FormulaC17H14ClN3O3
Molecular Weight343.77 g/mol
Exact Mass343.07
IUPAC Name2-(2-chlorophenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
SMILESO=C(COc1ccccc1Cl)NCc1nc(-c2ccccc2)no1
InChIInChI=1S/C17H14ClN3O3/c18-13-8-4-5-9-14(13)23-11-15(22)19-10-16-20-17(21-24-16)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,22)
InChIKeyKDEUFJUQSIWBRQ-UHFFFAOYSA-N
XLogP3.09
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide (CID 2985700) is 2-(2-chlorophenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide is O=C(COc1ccccc1Cl)NCc1nc(-c2ccccc2)no1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
The InChIKey is KDEUFJUQSIWBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O3/c18-13-8-4-5-9-14(13)23-11-15(22)19-10-16-20-17(21-24-16)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,22).
What are the key properties of 2-(2-chlorophenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide?
2-(2-chlorophenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide has a molecular weight of 343.77 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 2985700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).