1-[3-(2-fluorophenyl)pyrrolidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone

C18H23FN6O2 — CID 45173036

IUPAC1-[3-(2-fluorophenyl)pyrrolidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone
SMILESO=C(Cn1nnnc1CN1CCOCC1)N1CCC(c2ccccc2F)C1
InChIInChI=1S/C18H23FN6O2/c19-16-4-2-1-3-15(16)14-5-6-24(11-14)18(26)13-25-17(20-21-22-25)12-23-7-9-27-10-8-23/h1-4,14H,5-13H2
InChIKeyDFYNEABIUDUGEI-UHFFFAOYSA-N
MW374.42 g/mol
LogP0.66
Rot. Bonds5

About 1-[3-(2-fluorophenyl)pyrrolidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone

1-[3-(2-fluorophenyl)pyrrolidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone (PubChem CID 45173036) has the molecular formula C18H23FN6O2 and a molecular weight of 374.42 g/mol. Its IUPAC name is 1-[3-(2-fluorophenyl)pyrrolidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(2-fluorophenyl)pyrrolidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone
PubChem CID45173036
Molecular FormulaC18H23FN6O2
Molecular Weight374.42 g/mol
Exact Mass374.19
IUPAC Name1-[3-(2-fluorophenyl)pyrrolidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone
SMILESO=C(Cn1nnnc1CN1CCOCC1)N1CCC(c2ccccc2F)C1
InChIInChI=1S/C18H23FN6O2/c19-16-4-2-1-3-15(16)14-5-6-24(11-14)18(26)13-25-17(20-21-22-25)12-23-7-9-27-10-8-23/h1-4,14H,5-13H2
InChIKeyDFYNEABIUDUGEI-UHFFFAOYSA-N
XLogP0.66
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluorophenyl)pyrrolidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone?
The IUPAC name of 1-[3-(2-fluorophenyl)pyrrolidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone (CID 45173036) is 1-[3-(2-fluorophenyl)pyrrolidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone.
What is the SMILES notation for 1-[3-(2-fluorophenyl)pyrrolidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone?
The canonical SMILES for 1-[3-(2-fluorophenyl)pyrrolidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone is O=C(Cn1nnnc1CN1CCOCC1)N1CCC(c2ccccc2F)C1.
What is the InChIKey of 1-[3-(2-fluorophenyl)pyrrolidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone?
The InChIKey is DFYNEABIUDUGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN6O2/c19-16-4-2-1-3-15(16)14-5-6-24(11-14)18(26)13-25-17(20-21-22-25)12-23-7-9-27-10-8-23/h1-4,14H,5-13H2.
What are the key properties of 1-[3-(2-fluorophenyl)pyrrolidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone?
1-[3-(2-fluorophenyl)pyrrolidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone has a molecular weight of 374.42 g/mol, XLogP of 0.66, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-fluorophenyl)pyrrolidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone is sourced from PubChem (CID 45173036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).