2-(5-ethyltetrazol-1-yl)-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone

C15H18FN5O2 — CID 56821099

IUPAC2-(5-ethyltetrazol-1-yl)-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone
SMILESCCc1nnnn1CC(=O)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C15H18FN5O2/c1-2-14-17-18-19-21(14)10-15(22)20-7-8-23-13(9-20)11-3-5-12(16)6-4-11/h3-6,13H,2,7-10H2,1H3
InChIKeyQSIRWIKUNYYCEH-UHFFFAOYSA-N
MW319.34 g/mol
LogP0.97
Rot. Bonds4

About 2-(5-ethyltetrazol-1-yl)-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone

2-(5-ethyltetrazol-1-yl)-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone (PubChem CID 56821099) has the molecular formula C15H18FN5O2 and a molecular weight of 319.34 g/mol. Its IUPAC name is 2-(5-ethyltetrazol-1-yl)-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(5-ethyltetrazol-1-yl)-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone
PubChem CID56821099
Molecular FormulaC15H18FN5O2
Molecular Weight319.34 g/mol
Exact Mass319.14
IUPAC Name2-(5-ethyltetrazol-1-yl)-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone
SMILESCCc1nnnn1CC(=O)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C15H18FN5O2/c1-2-14-17-18-19-21(14)10-15(22)20-7-8-23-13(9-20)11-3-5-12(16)6-4-11/h3-6,13H,2,7-10H2,1H3
InChIKeyQSIRWIKUNYYCEH-UHFFFAOYSA-N
XLogP0.97
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyltetrazol-1-yl)-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(5-ethyltetrazol-1-yl)-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone (CID 56821099) is 2-(5-ethyltetrazol-1-yl)-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(5-ethyltetrazol-1-yl)-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(5-ethyltetrazol-1-yl)-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone is CCc1nnnn1CC(=O)N1CCOC(c2ccc(F)cc2)C1.
What is the InChIKey of 2-(5-ethyltetrazol-1-yl)-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone?
The InChIKey is QSIRWIKUNYYCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5O2/c1-2-14-17-18-19-21(14)10-15(22)20-7-8-23-13(9-20)11-3-5-12(16)6-4-11/h3-6,13H,2,7-10H2,1H3.
What are the key properties of 2-(5-ethyltetrazol-1-yl)-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone?
2-(5-ethyltetrazol-1-yl)-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone has a molecular weight of 319.34 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyltetrazol-1-yl)-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 56821099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).