ethyl 1-(1,2,4-oxadiazol-3-ylmethyl)-5-propyltriazole-4-carboxylate

C11H15N5O3 — CID 103106248

IUPACethyl 1-(1,2,4-oxadiazol-3-ylmethyl)-5-propyltriazole-4-carboxylate
SMILESCCCc1c(C(=O)OCC)nnn1Cc1ncon1
InChIInChI=1S/C11H15N5O3/c1-3-5-8-10(11(17)18-4-2)13-15-16(8)6-9-12-7-19-14-9/h7H,3-6H2,1-2H3
InChIKeyKEAOISRWHUZFDU-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.84
Rot. Bonds6

About ethyl 1-(1,2,4-oxadiazol-3-ylmethyl)-5-propyltriazole-4-carboxylate

ethyl 1-(1,2,4-oxadiazol-3-ylmethyl)-5-propyltriazole-4-carboxylate (PubChem CID 103106248) has the molecular formula C11H15N5O3 and a molecular weight of 265.27 g/mol. Its IUPAC name is ethyl 1-(1,2,4-oxadiazol-3-ylmethyl)-5-propyltriazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1,2,4-oxadiazol-3-ylmethyl)-5-propyltriazole-4-carboxylate
PubChem CID103106248
Molecular FormulaC11H15N5O3
Molecular Weight265.27 g/mol
Exact Mass265.12
IUPAC Nameethyl 1-(1,2,4-oxadiazol-3-ylmethyl)-5-propyltriazole-4-carboxylate
SMILESCCCc1c(C(=O)OCC)nnn1Cc1ncon1
InChIInChI=1S/C11H15N5O3/c1-3-5-8-10(11(17)18-4-2)13-15-16(8)6-9-12-7-19-14-9/h7H,3-6H2,1-2H3
InChIKeyKEAOISRWHUZFDU-UHFFFAOYSA-N
XLogP0.84
TPSA95.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 1-[(5-methyl-1,3-oxazol-4-yl)methyl]-5-propyltriazole-4-carboxylate
CID 103106187
5-(2-aminoethyl)-1-(1,2,4-oxadiazol-3-ylmethyl)triazole-4-carboxylic acid
CID 103119448
ethyl 1,5-dipropyltriazole-4-carboxylate
CID 103106241
ethyl 1-[(4-chlorophenyl)methyl]-5-propyltriazole-4-carboxylate
CID 103106239
ethyl 1-[(5-bromothiophen-2-yl)methyl]-5-propyltriazole-4-carboxylate
CID 103106126
ethyl 1-(3-methoxypropyl)-5-propyltriazole-4-carboxylate
CID 103106084
ethyl 5-(aminomethyl)-1-(pyrimidin-2-ylmethyl)triazole-4-carboxylate
CID 103110946
ethyl 1-(2-ethoxyethyl)-5-propyltriazole-4-carboxylate
CID 103106077
ethyl 1-(6-hydroxyhexyl)-5-propyltriazole-4-carboxylate
CID 107706598
ethyl 1-[2-(2-methylpyrazol-3-yl)ethyl]-5-propyltriazole-4-carboxylate
CID 103106164
ethyl 1-(2-morpholin-4-ylethyl)-5-propyltriazole-4-carboxylate
CID 103106195
ethyl 1-[3-(dimethylamino)propyl]-5-propyltriazole-4-carboxylate
CID 103106072

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1,2,4-oxadiazol-3-ylmethyl)-5-propyltriazole-4-carboxylate?
The IUPAC name of ethyl 1-(1,2,4-oxadiazol-3-ylmethyl)-5-propyltriazole-4-carboxylate (CID 103106248) is ethyl 1-(1,2,4-oxadiazol-3-ylmethyl)-5-propyltriazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(1,2,4-oxadiazol-3-ylmethyl)-5-propyltriazole-4-carboxylate?
The canonical SMILES for ethyl 1-(1,2,4-oxadiazol-3-ylmethyl)-5-propyltriazole-4-carboxylate is CCCc1c(C(=O)OCC)nnn1Cc1ncon1.
What is the InChIKey of ethyl 1-(1,2,4-oxadiazol-3-ylmethyl)-5-propyltriazole-4-carboxylate?
The InChIKey is KEAOISRWHUZFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3/c1-3-5-8-10(11(17)18-4-2)13-15-16(8)6-9-12-7-19-14-9/h7H,3-6H2,1-2H3.
What are the key properties of ethyl 1-(1,2,4-oxadiazol-3-ylmethyl)-5-propyltriazole-4-carboxylate?
ethyl 1-(1,2,4-oxadiazol-3-ylmethyl)-5-propyltriazole-4-carboxylate has a molecular weight of 265.27 g/mol, XLogP of 0.84, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1,2,4-oxadiazol-3-ylmethyl)-5-propyltriazole-4-carboxylate is sourced from PubChem (CID 103106248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).