ethyl 1-[3-(oxolan-2-yl)propyl]tetrazole-5-carboxylate

C11H18N4O3 — CID 79318250

IUPACethyl 1-[3-(oxolan-2-yl)propyl]tetrazole-5-carboxylate
SMILESCCOC(=O)c1nnnn1CCCC1CCCO1
InChIInChI=1S/C11H18N4O3/c1-2-17-11(16)10-12-13-14-15(10)7-3-5-9-6-4-8-18-9/h9H,2-8H2,1H3
InChIKeyNHQBFLXTQRLQOP-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.81
Rot. Bonds6

About ethyl 1-[3-(oxolan-2-yl)propyl]tetrazole-5-carboxylate

ethyl 1-[3-(oxolan-2-yl)propyl]tetrazole-5-carboxylate (PubChem CID 79318250) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is ethyl 1-[3-(oxolan-2-yl)propyl]tetrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(oxolan-2-yl)propyl]tetrazole-5-carboxylate
PubChem CID79318250
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Nameethyl 1-[3-(oxolan-2-yl)propyl]tetrazole-5-carboxylate
SMILESCCOC(=O)c1nnnn1CCCC1CCCO1
InChIInChI=1S/C11H18N4O3/c1-2-17-11(16)10-12-13-14-15(10)7-3-5-9-6-4-8-18-9/h9H,2-8H2,1H3
InChIKeyNHQBFLXTQRLQOP-UHFFFAOYSA-N
XLogP0.81
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 1-[3-(oxolan-2-yl)propyl]-5-propan-2-yltriazole-4-carboxylate
CID 103105219
ethyl 5-(chloromethyl)-1-[2-(oxolan-2-yl)ethyl]triazole-4-carboxylate
CID 103109155
ethyl 1-(2-fluoroethyl)tetrazole-5-carboxylate
CID 80696635
ethyl 5-(oxolan-2-yl)pentanoate
CID 121220970
ethyl 1-(3-phenylpropyl)tetrazole-5-carboxylate
CID 79318081
4-methyl-2-[3-(oxolan-2-yl)propyl]-1,2,4-triazol-3-one
CID 116626772
ethyl 1-[3-(carbamoylamino)-3-oxopropyl]tetrazole-5-carboxylate
CID 79317376
4-[5-(oxolan-2-ylmethyl)tetrazol-1-yl]butan-1-amine
CID 106387160
1-[3-(oxolan-2-yl)propyl]-5-(trifluoromethyl)triazole-4-carboxylic acid
CID 102642707
1-[1-[3-(oxolan-2-yl)propyl]pyrazol-4-yl]propan-1-one
CID 65164995
diethyl 2-ethyl-2-[3-(oxolan-2-yl)propyl]propanedioate
CID 103973035
ethyl 1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]tetrazole-5-carboxylate
CID 79317940

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(oxolan-2-yl)propyl]tetrazole-5-carboxylate?
The IUPAC name of ethyl 1-[3-(oxolan-2-yl)propyl]tetrazole-5-carboxylate (CID 79318250) is ethyl 1-[3-(oxolan-2-yl)propyl]tetrazole-5-carboxylate.
What is the SMILES notation for ethyl 1-[3-(oxolan-2-yl)propyl]tetrazole-5-carboxylate?
The canonical SMILES for ethyl 1-[3-(oxolan-2-yl)propyl]tetrazole-5-carboxylate is CCOC(=O)c1nnnn1CCCC1CCCO1.
What is the InChIKey of ethyl 1-[3-(oxolan-2-yl)propyl]tetrazole-5-carboxylate?
The InChIKey is NHQBFLXTQRLQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-2-17-11(16)10-12-13-14-15(10)7-3-5-9-6-4-8-18-9/h9H,2-8H2,1H3.
What are the key properties of ethyl 1-[3-(oxolan-2-yl)propyl]tetrazole-5-carboxylate?
ethyl 1-[3-(oxolan-2-yl)propyl]tetrazole-5-carboxylate has a molecular weight of 254.29 g/mol, XLogP of 0.81, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(oxolan-2-yl)propyl]tetrazole-5-carboxylate is sourced from PubChem (CID 79318250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).