ethyl 1-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylate

C15H24N2O4 — CID 116704869

IUPACethyl 1-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(c2nc(C(OC)C(C)C)no2)CCCC1
InChIInChI=1S/C15H24N2O4/c1-5-20-14(18)15(8-6-7-9-15)13-16-12(17-21-13)11(19-4)10(2)3/h10-11H,5-9H2,1-4H3
InChIKeyCDHZUESWMISVFH-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.79
Rot. Bonds6

About ethyl 1-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylate

ethyl 1-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylate (PubChem CID 116704869) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is ethyl 1-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylate
PubChem CID116704869
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Nameethyl 1-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(c2nc(C(OC)C(C)C)no2)CCCC1
InChIInChI=1S/C15H24N2O4/c1-5-20-14(18)15(8-6-7-9-15)13-16-12(17-21-13)11(19-4)10(2)3/h10-11H,5-9H2,1-4H3
InChIKeyCDHZUESWMISVFH-UHFFFAOYSA-N
XLogP2.79
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]cyclobutane-1-carboxylate
CID 79617110
ethyl 1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylate
CID 116704927
1-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 116702753
ethyl 1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclobutane-1-carboxylate
CID 79472487
ethyl 1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)cyclobutane-1-carboxylate
CID 116808530
ethyl 1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)cyclohexane-1-carboxylate
CID 79471951
1-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 116703045
methyl 1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 79734193
ethyl 1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 116704720
methyl 1-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 79734885
ethyl 1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)cyclobutane-1-carboxylate
CID 79480407
2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclohexan-1-amine
CID 116702810

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylate (CID 116704869) is ethyl 1-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylate is CCOC(=O)C1(c2nc(C(OC)C(C)C)no2)CCCC1.
What is the InChIKey of ethyl 1-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylate?
The InChIKey is CDHZUESWMISVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-5-20-14(18)15(8-6-7-9-15)13-16-12(17-21-13)11(19-4)10(2)3/h10-11H,5-9H2,1-4H3.
What are the key properties of ethyl 1-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylate?
ethyl 1-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylate has a molecular weight of 296.37 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylate is sourced from PubChem (CID 116704869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).