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

C17H20ClN3O3 — CID 56785183

IUPACN-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(oxolan-2-yl)propanamide
SMILESO=C(CCC1CCCO1)NCCc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C17H20ClN3O3/c18-13-5-3-12(4-6-13)17-20-16(24-21-17)9-10-19-15(22)8-7-14-2-1-11-23-14/h3-6,14H,1-2,7-11H2,(H,19,22)
InChIKeyIEBZWGNFVCLUPA-UHFFFAOYSA-N
MW349.82 g/mol
LogP3.01
Rot. Bonds7

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

N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(oxolan-2-yl)propanamide (PubChem CID 56785183) has the molecular formula C17H20ClN3O3 and a molecular weight of 349.82 g/mol. Its IUPAC name is N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(oxolan-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(oxolan-2-yl)propanamide
PubChem CID56785183
Molecular FormulaC17H20ClN3O3
Molecular Weight349.82 g/mol
Exact Mass349.12
IUPAC NameN-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(oxolan-2-yl)propanamide
SMILESO=C(CCC1CCCO1)NCCc1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C17H20ClN3O3/c18-13-5-3-12(4-6-13)17-20-16(24-21-17)9-10-19-15(22)8-7-14-2-1-11-23-14/h3-6,14H,1-2,7-11H2,(H,19,22)
InChIKeyIEBZWGNFVCLUPA-UHFFFAOYSA-N
XLogP3.01
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide
CID 4897572
1-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-ethyl-2-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111555018
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 133209749
3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 100763862
N-[[(2S)-oxolan-2-yl]methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 34750356
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-oxo-3-piperidin-1-ylpropyl)propanamide
CID 55803402
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 7419913
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(ethylamino)ethyl]propanamide
CID 119505234
cis-(1R,2S)-2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125131462
3-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,1-dimethylurea
CID 110324015
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 18117951
3-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 6472669

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(oxolan-2-yl)propanamide?
The IUPAC name of N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(oxolan-2-yl)propanamide (CID 56785183) is N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(oxolan-2-yl)propanamide.
What is the SMILES notation for N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(oxolan-2-yl)propanamide?
The canonical SMILES for N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(oxolan-2-yl)propanamide is O=C(CCC1CCCO1)NCCc1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(oxolan-2-yl)propanamide?
The InChIKey is IEBZWGNFVCLUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3/c18-13-5-3-12(4-6-13)17-20-16(24-21-17)9-10-19-15(22)8-7-14-2-1-11-23-14/h3-6,14H,1-2,7-11H2,(H,19,22).
What are the key properties of N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(oxolan-2-yl)propanamide?
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(oxolan-2-yl)propanamide has a molecular weight of 349.82 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(oxolan-2-yl)propanamide is sourced from PubChem (CID 56785183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).