3-(1-chloropropyl)-5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole

C13H15ClN2O2 — CID 103095530

IUPAC3-(1-chloropropyl)-5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole
SMILESCCC(Cl)c1noc(Cc2ccccc2OC)n1
InChIInChI=1S/C13H15ClN2O2/c1-3-10(14)13-15-12(18-16-13)8-9-6-4-5-7-11(9)17-2/h4-7,10H,3,8H2,1-2H3
InChIKeyHRDIPFPEGLVPRS-UHFFFAOYSA-N
MW266.73 g/mol
LogP3.36
Rot. Bonds5

About 3-(1-chloropropyl)-5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole

3-(1-chloropropyl)-5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole (PubChem CID 103095530) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 3-(1-chloropropyl)-5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-chloropropyl)-5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole
PubChem CID103095530
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name3-(1-chloropropyl)-5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole
SMILESCCC(Cl)c1noc(Cc2ccccc2OC)n1
InChIInChI=1S/C13H15ClN2O2/c1-3-10(14)13-15-12(18-16-13)8-9-6-4-5-7-11(9)17-2/h4-7,10H,3,8H2,1-2H3
InChIKeyHRDIPFPEGLVPRS-UHFFFAOYSA-N
XLogP3.36
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 61324180
1-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
CID 104634478
5-[(2-methoxyphenyl)methyl]-3-methyl-1,2,4-oxadiazole
CID 54077737
(2S)-2-amino-1-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-1-ol;hydrochloride
CID 67585921
2-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 61334308
2-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 115078940
3-(1-chloropropyl)-5-[(3,4-dimethylphenyl)methyl]-1,2,4-oxadiazole
CID 103095583
2-[(3-butan-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenol
CID 80740766
3-(1-chloropropyl)-5-(1-phenylpropyl)-1,2,4-oxadiazole
CID 103095669
1-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
CID 63350383
3-(1-chloropropyl)-5-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazole
CID 103095464
1-(4-chlorohexyl)-2-methoxybenzene
CID 64507973

Frequently Asked Questions

What is the IUPAC name of 3-(1-chloropropyl)-5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(1-chloropropyl)-5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole (CID 103095530) is 3-(1-chloropropyl)-5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-chloropropyl)-5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-chloropropyl)-5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole is CCC(Cl)c1noc(Cc2ccccc2OC)n1.
What is the InChIKey of 3-(1-chloropropyl)-5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole?
The InChIKey is HRDIPFPEGLVPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-3-10(14)13-15-12(18-16-13)8-9-6-4-5-7-11(9)17-2/h4-7,10H,3,8H2,1-2H3.
What are the key properties of 3-(1-chloropropyl)-5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole?
3-(1-chloropropyl)-5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole has a molecular weight of 266.73 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-chloropropyl)-5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 103095530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).