methyl 2-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]acetate

C16H18N2O3 — CID 79481889

IUPACmethyl 2-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]acetate
SMILESCOC(=O)Cc1nc(C2(c3ccccc3)CCCC2)no1
InChIInChI=1S/C16H18N2O3/c1-20-14(19)11-13-17-15(18-21-13)16(9-5-6-10-16)12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-11H2,1H3
InChIKeyFCSMXBMRCALOJF-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.65
Rot. Bonds4

About methyl 2-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]acetate

methyl 2-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]acetate (PubChem CID 79481889) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is methyl 2-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]acetate
PubChem CID79481889
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Namemethyl 2-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]acetate
SMILESCOC(=O)Cc1nc(C2(c3ccccc3)CCCC2)no1
InChIInChI=1S/C16H18N2O3/c1-20-14(19)11-13-17-15(18-21-13)16(9-5-6-10-16)12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-11H2,1H3
InChIKeyFCSMXBMRCALOJF-UHFFFAOYSA-N
XLogP2.65
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]acetate?
The IUPAC name of methyl 2-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]acetate (CID 79481889) is methyl 2-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]acetate.
What is the SMILES notation for methyl 2-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]acetate?
The canonical SMILES for methyl 2-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]acetate is COC(=O)Cc1nc(C2(c3ccccc3)CCCC2)no1.
What is the InChIKey of methyl 2-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]acetate?
The InChIKey is FCSMXBMRCALOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-20-14(19)11-13-17-15(18-21-13)16(9-5-6-10-16)12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-11H2,1H3.
What are the key properties of methyl 2-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]acetate?
methyl 2-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]acetate has a molecular weight of 286.33 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]acetate is sourced from PubChem (CID 79481889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).