ethyl 2-[5-(1-morpholin-4-ylcyclohexyl)tetrazol-1-yl]acetate

C15H25N5O3 — CID 23940136

IUPACethyl 2-[5-(1-morpholin-4-ylcyclohexyl)tetrazol-1-yl]acetate
SMILESCCOC(=O)Cn1nnnc1C1(N2CCOCC2)CCCCC1
InChIInChI=1S/C15H25N5O3/c1-2-23-13(21)12-20-14(16-17-18-20)15(6-4-3-5-7-15)19-8-10-22-11-9-19/h2-12H2,1H3
InChIKeyIRHBFBRNFLCSRN-UHFFFAOYSA-N
MW323.40 g/mol
LogP0.73
Rot. Bonds5

About ethyl 2-[5-(1-morpholin-4-ylcyclohexyl)tetrazol-1-yl]acetate

ethyl 2-[5-(1-morpholin-4-ylcyclohexyl)tetrazol-1-yl]acetate (PubChem CID 23940136) has the molecular formula C15H25N5O3 and a molecular weight of 323.40 g/mol. Its IUPAC name is ethyl 2-[5-(1-morpholin-4-ylcyclohexyl)tetrazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-(1-morpholin-4-ylcyclohexyl)tetrazol-1-yl]acetate
PubChem CID23940136
Molecular FormulaC15H25N5O3
Molecular Weight323.40 g/mol
Exact Mass323.20
IUPAC Nameethyl 2-[5-(1-morpholin-4-ylcyclohexyl)tetrazol-1-yl]acetate
SMILESCCOC(=O)Cn1nnnc1C1(N2CCOCC2)CCCCC1
InChIInChI=1S/C15H25N5O3/c1-2-23-13(21)12-20-14(16-17-18-20)15(6-4-3-5-7-15)19-8-10-22-11-9-19/h2-12H2,1H3
InChIKeyIRHBFBRNFLCSRN-UHFFFAOYSA-N
XLogP0.73
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-(1-morpholin-4-ylcyclohexyl)tetrazol-1-yl]acetate?
The IUPAC name of ethyl 2-[5-(1-morpholin-4-ylcyclohexyl)tetrazol-1-yl]acetate (CID 23940136) is ethyl 2-[5-(1-morpholin-4-ylcyclohexyl)tetrazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[5-(1-morpholin-4-ylcyclohexyl)tetrazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[5-(1-morpholin-4-ylcyclohexyl)tetrazol-1-yl]acetate is CCOC(=O)Cn1nnnc1C1(N2CCOCC2)CCCCC1.
What is the InChIKey of ethyl 2-[5-(1-morpholin-4-ylcyclohexyl)tetrazol-1-yl]acetate?
The InChIKey is IRHBFBRNFLCSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O3/c1-2-23-13(21)12-20-14(16-17-18-20)15(6-4-3-5-7-15)19-8-10-22-11-9-19/h2-12H2,1H3.
What are the key properties of ethyl 2-[5-(1-morpholin-4-ylcyclohexyl)tetrazol-1-yl]acetate?
ethyl 2-[5-(1-morpholin-4-ylcyclohexyl)tetrazol-1-yl]acetate has a molecular weight of 323.40 g/mol, XLogP of 0.73, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-(1-morpholin-4-ylcyclohexyl)tetrazol-1-yl]acetate is sourced from PubChem (CID 23940136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).