ethyl 1-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate

C14H23N3O3 — CID 79472476

IUPACethyl 1-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2nc(CCN(CC)CC)no2)CC1
InChIInChI=1S/C14H23N3O3/c1-4-17(5-2)10-7-11-15-12(20-16-11)14(8-9-14)13(18)19-6-3/h4-10H2,1-3H3
InChIKeyKNELBNXXHJYTQR-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.55
Rot. Bonds8

About ethyl 1-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate

ethyl 1-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate (PubChem CID 79472476) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is ethyl 1-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
PubChem CID79472476
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Nameethyl 1-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2nc(CCN(CC)CC)no2)CC1
InChIInChI=1S/C14H23N3O3/c1-4-17(5-2)10-7-11-15-12(20-16-11)14(8-9-14)13(18)19-6-3/h4-10H2,1-3H3
InChIKeyKNELBNXXHJYTQR-UHFFFAOYSA-N
XLogP1.55
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 79472255
ethyl 1-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]cyclobutane-1-carboxylate
CID 79953262
ethyl 1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclobutane-1-carboxylate
CID 79472487
ethyl 1-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 79472575
ethyl 1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 79480061
ethyl 1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 79480058
ethyl 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylate
CID 79472027
2-[5-[1-(aminomethyl)cyclopentyl]-1,2,4-oxadiazol-3-yl]-N,N-diethylethanamine
CID 115433709
ethyl 1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 116704720
N,N-diethyl-2-[5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 63123708
ethyl 1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 79471725
ethyl 1-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 116743986

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate (CID 79472476) is ethyl 1-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate is CCOC(=O)C1(c2nc(CCN(CC)CC)no2)CC1.
What is the InChIKey of ethyl 1-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate?
The InChIKey is KNELBNXXHJYTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-4-17(5-2)10-7-11-15-12(20-16-11)14(8-9-14)13(18)19-6-3/h4-10H2,1-3H3.
What are the key properties of ethyl 1-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate?
ethyl 1-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate has a molecular weight of 281.36 g/mol, XLogP of 1.55, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate is sourced from PubChem (CID 79472476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).