ethyl 2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-4-methylpentanoate

C16H26N2O3 — CID 79481205

IUPACethyl 2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-4-methylpentanoate
SMILESCCOC(=O)C(CC(C)C)c1nc(C2CCCCC2)no1
InChIInChI=1S/C16H26N2O3/c1-4-20-16(19)13(10-11(2)3)15-17-14(18-21-15)12-8-6-5-7-9-12/h11-13H,4-10H2,1-3H3
InChIKeyYDPHCYKLTSRSRV-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.81
Rot. Bonds6

About ethyl 2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-4-methylpentanoate

ethyl 2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-4-methylpentanoate (PubChem CID 79481205) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is ethyl 2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-4-methylpentanoate.

Molecular Properties

Compound Nameethyl 2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-4-methylpentanoate
PubChem CID79481205
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Nameethyl 2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-4-methylpentanoate
SMILESCCOC(=O)C(CC(C)C)c1nc(C2CCCCC2)no1
InChIInChI=1S/C16H26N2O3/c1-4-20-16(19)13(10-11(2)3)15-17-14(18-21-15)12-8-6-5-7-9-12/h11-13H,4-10H2,1-3H3
InChIKeyYDPHCYKLTSRSRV-UHFFFAOYSA-N
XLogP3.81
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-4-methylpentanoate?
The IUPAC name of ethyl 2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-4-methylpentanoate (CID 79481205) is ethyl 2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-4-methylpentanoate.
What is the SMILES notation for ethyl 2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-4-methylpentanoate?
The canonical SMILES for ethyl 2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-4-methylpentanoate is CCOC(=O)C(CC(C)C)c1nc(C2CCCCC2)no1.
What is the InChIKey of ethyl 2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-4-methylpentanoate?
The InChIKey is YDPHCYKLTSRSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-4-20-16(19)13(10-11(2)3)15-17-14(18-21-15)12-8-6-5-7-9-12/h11-13H,4-10H2,1-3H3.
What are the key properties of ethyl 2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-4-methylpentanoate?
ethyl 2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-4-methylpentanoate has a molecular weight of 294.40 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-4-methylpentanoate is sourced from PubChem (CID 79481205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).