[1-(2-fluorophenyl)cyclopentyl]-[3-methyl-3-(2H-tetrazol-5-yl)azetidin-1-yl]methanone

C17H20FN5O — CID 166312537

IUPAC[1-(2-fluorophenyl)cyclopentyl]-[3-methyl-3-(2H-tetrazol-5-yl)azetidin-1-yl]methanone
SMILESCC1(c2nn[nH]n2)CN(C(=O)C2(c3ccccc3F)CCCC2)C1
InChIInChI=1S/C17H20FN5O/c1-16(14-19-21-22-20-14)10-23(11-16)15(24)17(8-4-5-9-17)12-6-2-3-7-13(12)18/h2-3,6-7H,4-5,8-11H2,1H3,(H,19,20,21,22)
InChIKeyBSNYQBRKEWVZEI-UHFFFAOYSA-N
MW329.38 g/mol
LogP1.95
Rot. Bonds3

About [1-(2-fluorophenyl)cyclopentyl]-[3-methyl-3-(2H-tetrazol-5-yl)azetidin-1-yl]methanone

[1-(2-fluorophenyl)cyclopentyl]-[3-methyl-3-(2H-tetrazol-5-yl)azetidin-1-yl]methanone (PubChem CID 166312537) has the molecular formula C17H20FN5O and a molecular weight of 329.38 g/mol. Its IUPAC name is [1-(2-fluorophenyl)cyclopentyl]-[3-methyl-3-(2H-tetrazol-5-yl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(2-fluorophenyl)cyclopentyl]-[3-methyl-3-(2H-tetrazol-5-yl)azetidin-1-yl]methanone
PubChem CID166312537
Molecular FormulaC17H20FN5O
Molecular Weight329.38 g/mol
Exact Mass329.17
IUPAC Name[1-(2-fluorophenyl)cyclopentyl]-[3-methyl-3-(2H-tetrazol-5-yl)azetidin-1-yl]methanone
SMILESCC1(c2nn[nH]n2)CN(C(=O)C2(c3ccccc3F)CCCC2)C1
InChIInChI=1S/C17H20FN5O/c1-16(14-19-21-22-20-14)10-23(11-16)15(24)17(8-4-5-9-17)12-6-2-3-7-13(12)18/h2-3,6-7H,4-5,8-11H2,1H3,(H,19,20,21,22)
InChIKeyBSNYQBRKEWVZEI-UHFFFAOYSA-N
XLogP1.95
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenyl)cyclopentyl]-[3-methyl-3-(2H-tetrazol-5-yl)azetidin-1-yl]methanone?
The IUPAC name of [1-(2-fluorophenyl)cyclopentyl]-[3-methyl-3-(2H-tetrazol-5-yl)azetidin-1-yl]methanone (CID 166312537) is [1-(2-fluorophenyl)cyclopentyl]-[3-methyl-3-(2H-tetrazol-5-yl)azetidin-1-yl]methanone.
What is the SMILES notation for [1-(2-fluorophenyl)cyclopentyl]-[3-methyl-3-(2H-tetrazol-5-yl)azetidin-1-yl]methanone?
The canonical SMILES for [1-(2-fluorophenyl)cyclopentyl]-[3-methyl-3-(2H-tetrazol-5-yl)azetidin-1-yl]methanone is CC1(c2nn[nH]n2)CN(C(=O)C2(c3ccccc3F)CCCC2)C1.
What is the InChIKey of [1-(2-fluorophenyl)cyclopentyl]-[3-methyl-3-(2H-tetrazol-5-yl)azetidin-1-yl]methanone?
The InChIKey is BSNYQBRKEWVZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O/c1-16(14-19-21-22-20-14)10-23(11-16)15(24)17(8-4-5-9-17)12-6-2-3-7-13(12)18/h2-3,6-7H,4-5,8-11H2,1H3,(H,19,20,21,22).
What are the key properties of [1-(2-fluorophenyl)cyclopentyl]-[3-methyl-3-(2H-tetrazol-5-yl)azetidin-1-yl]methanone?
[1-(2-fluorophenyl)cyclopentyl]-[3-methyl-3-(2H-tetrazol-5-yl)azetidin-1-yl]methanone has a molecular weight of 329.38 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorophenyl)cyclopentyl]-[3-methyl-3-(2H-tetrazol-5-yl)azetidin-1-yl]methanone is sourced from PubChem (CID 166312537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).