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

C19H18ClN3O3 — CID 110323942

IUPACN-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)NCCc1nc(-c2ccccc2Cl)no1
InChIInChI=1S/C19H18ClN3O3/c20-16-9-5-4-8-15(16)19-22-18(26-23-19)10-12-21-17(24)11-13-25-14-6-2-1-3-7-14/h1-9H,10-13H2,(H,21,24)
InChIKeyOGPQUBFGCFHIEI-UHFFFAOYSA-N
MW371.82 g/mol
LogP3.52
Rot. Bonds8

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

N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenoxypropanamide (PubChem CID 110323942) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenoxypropanamide
PubChem CID110323942
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC NameN-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)NCCc1nc(-c2ccccc2Cl)no1
InChIInChI=1S/C19H18ClN3O3/c20-16-9-5-4-8-15(16)19-22-18(26-23-19)10-12-21-17(24)11-13-25-14-6-2-1-3-7-14/h1-9H,10-13H2,(H,21,24)
InChIKeyOGPQUBFGCFHIEI-UHFFFAOYSA-N
XLogP3.52
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 53.52
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]-4-phenoxybutanamide
CID 110323943
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]-2-methoxyacetamide
CID 4969886
3-phenoxy-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]propanamide
CID 110293659
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenoxypropanamide
CID 110323125
N-[2-(4-methoxyphenoxy)ethyl]-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 110330882
N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4,5-trimethoxybenzamide
CID 4896075
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
CID 6492197
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenoxypropanamide
CID 110293601
N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-difluorobenzamide
CID 110323952
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]-2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetamide
CID 135639849

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenoxypropanamide?
The IUPAC name of N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenoxypropanamide (CID 110323942) is N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenoxypropanamide?
The canonical SMILES for N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenoxypropanamide is O=C(CCOc1ccccc1)NCCc1nc(-c2ccccc2Cl)no1.
What is the InChIKey of N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenoxypropanamide?
The InChIKey is OGPQUBFGCFHIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c20-16-9-5-4-8-15(16)19-22-18(26-23-19)10-12-21-17(24)11-13-25-14-6-2-1-3-7-14/h1-9H,10-13H2,(H,21,24).
What are the key properties of N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenoxypropanamide?
N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenoxypropanamide has a molecular weight of 371.82 g/mol, XLogP of 3.52, 8 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]-3-phenoxypropanamide is sourced from PubChem (CID 110323942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).