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

C18H16ClN3O3 — CID 91634959

IUPAC2-(4-chlorophenoxy)-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
SMILESCC(NC(=O)COc1ccc(Cl)cc1)c1nc(-c2ccccc2)no1
InChIInChI=1S/C18H16ClN3O3/c1-12(18-21-17(22-25-18)13-5-3-2-4-6-13)20-16(23)11-24-15-9-7-14(19)8-10-15/h2-10,12H,11H2,1H3,(H,20,23)
InChIKeyDTNNMRDBRLQDMX-UHFFFAOYSA-N
MW357.80 g/mol
LogP3.65
Rot. Bonds6

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

2-(4-chlorophenoxy)-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide (PubChem CID 91634959) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
PubChem CID91634959
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC Name2-(4-chlorophenoxy)-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
SMILESCC(NC(=O)COc1ccc(Cl)cc1)c1nc(-c2ccccc2)no1
InChIInChI=1S/C18H16ClN3O3/c1-12(18-21-17(22-25-18)13-5-3-2-4-6-13)20-16(23)11-24-15-9-7-14(19)8-10-15/h2-10,12H,11H2,1H3,(H,20,23)
InChIKeyDTNNMRDBRLQDMX-UHFFFAOYSA-N
XLogP3.65
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenoxy)-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]acetamide
CID 83279735
2-(4-chlorophenoxy)-N-[2,2-dimethyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]acetamide
CID 118984908
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 95740885
2-(3,4-dichlorophenoxy)-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
CID 49179213
2-(4-chlorophenoxy)-N-[(1S)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]acetamide
CID 93117442
N-[1-(1,3-benzoxazol-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 110278694
2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-[(1R)-1-phenylethyl]acetamide
CID 39818952
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 39818945
3-(4-chlorophenyl)-4-[(1R)-1-[(2-phenoxyacetyl)amino]ethyl]-1,2-oxazole-5-carboxylic acid
CID 75368145
N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 17101424
N-[(4-chlorophenyl)methyl]-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25238051
2-(4-benzoylphenoxy)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 7948812

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide (CID 91634959) is 2-(4-chlorophenoxy)-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide is CC(NC(=O)COc1ccc(Cl)cc1)c1nc(-c2ccccc2)no1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide?
The InChIKey is DTNNMRDBRLQDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c1-12(18-21-17(22-25-18)13-5-3-2-4-6-13)20-16(23)11-24-15-9-7-14(19)8-10-15/h2-10,12H,11H2,1H3,(H,20,23).
What are the key properties of 2-(4-chlorophenoxy)-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide?
2-(4-chlorophenoxy)-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide has a molecular weight of 357.80 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 91634959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).