N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methoxyacetamide

C13H14ClN3O3 — CID 4969886

IUPACN-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methoxyacetamide
SMILESCOCC(=O)NCCc1nc(-c2ccccc2Cl)no1
InChIInChI=1S/C13H14ClN3O3/c1-19-8-11(18)15-7-6-12-16-13(17-20-12)9-4-2-3-5-10(9)14/h2-5H,6-8H2,1H3,(H,15,18)
InChIKeyXGUSDCSUBNQTCM-UHFFFAOYSA-N
MW295.73 g/mol
LogP1.70
Rot. Bonds6

About N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methoxyacetamide

N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methoxyacetamide (PubChem CID 4969886) has the molecular formula C13H14ClN3O3 and a molecular weight of 295.73 g/mol. Its IUPAC name is N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methoxyacetamide
PubChem CID4969886
Molecular FormulaC13H14ClN3O3
Molecular Weight295.73 g/mol
Exact Mass295.07
IUPAC NameN-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methoxyacetamide
SMILESCOCC(=O)NCCc1nc(-c2ccccc2Cl)no1
InChIInChI=1S/C13H14ClN3O3/c1-19-8-11(18)15-7-6-12-16-13(17-20-12)9-4-2-3-5-10(9)14/h2-5H,6-8H2,1H3,(H,15,18)
InChIKeyXGUSDCSUBNQTCM-UHFFFAOYSA-N
XLogP1.70
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenoxyacetamide
CID 4974894
N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenoxypropanamide
CID 110323942
N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-phenoxybutanamide
CID 110323943
N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4,5-trimethoxybenzamide
CID 4896075
methyl 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474434
N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbenzamide
CID 110323931
N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-difluorobenzamide
CID 110323952
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
CID 6492197
N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylacetamide
CID 110323634
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 62098241
N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetamide
CID 135639849
N-[2-(2-methoxyphenyl)ethyl]-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 50957271

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methoxyacetamide?
The IUPAC name of N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methoxyacetamide (CID 4969886) is N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methoxyacetamide.
What is the SMILES notation for N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methoxyacetamide?
The canonical SMILES for N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methoxyacetamide is COCC(=O)NCCc1nc(-c2ccccc2Cl)no1.
What is the InChIKey of N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methoxyacetamide?
The InChIKey is XGUSDCSUBNQTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O3/c1-19-8-11(18)15-7-6-12-16-13(17-20-12)9-4-2-3-5-10(9)14/h2-5H,6-8H2,1H3,(H,15,18).
What are the key properties of N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methoxyacetamide?
N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methoxyacetamide has a molecular weight of 295.73 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methoxyacetamide is sourced from PubChem (CID 4969886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).