[3-(4-fluorophenyl)cyclobutyl]-[2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone

C16H18FN5O — CID 166253108

IUPAC[3-(4-fluorophenyl)cyclobutyl]-[2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone
SMILESO=C(C1CC(c2ccc(F)cc2)C1)N1CCCC1c1nn[nH]n1
InChIInChI=1S/C16H18FN5O/c17-13-5-3-10(4-6-13)11-8-12(9-11)16(23)22-7-1-2-14(22)15-18-20-21-19-15/h3-6,11-12,14H,1-2,7-9H2,(H,18,19,20,21)
InChIKeySLTNKFTWSNRLOI-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.20
Rot. Bonds3

About [3-(4-fluorophenyl)cyclobutyl]-[2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone

[3-(4-fluorophenyl)cyclobutyl]-[2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 166253108) has the molecular formula C16H18FN5O and a molecular weight of 315.35 g/mol. Its IUPAC name is [3-(4-fluorophenyl)cyclobutyl]-[2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)cyclobutyl]-[2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID166253108
Molecular FormulaC16H18FN5O
Molecular Weight315.35 g/mol
Exact Mass315.15
IUPAC Name[3-(4-fluorophenyl)cyclobutyl]-[2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone
SMILESO=C(C1CC(c2ccc(F)cc2)C1)N1CCCC1c1nn[nH]n1
InChIInChI=1S/C16H18FN5O/c17-13-5-3-10(4-6-13)11-8-12(9-11)16(23)22-7-1-2-14(22)15-18-20-21-19-15/h3-6,11-12,14H,1-2,7-9H2,(H,18,19,20,21)
InChIKeySLTNKFTWSNRLOI-UHFFFAOYSA-N
XLogP2.20
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-fluoro-1-benzofuran-3-yl)-1-[2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 167770762
[3-[4-(4-fluorophenoxy)phenyl]azetidin-1-yl]-[(3S)-3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone
CID 175975479
(2S)-1-(4-fluorophenyl)sulfonyl-2-(2H-tetrazol-5-yl)piperidine
CID 57164014
2-[4-[(2S)-2-(4-fluorophenyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
CID 97142895
4-phenyl-1-[(2S)-2-[(2S)-2-(2H-tetrazol-5-yl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one
CID 155518457
2-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]ethanone;hydrochloride
CID 119338691
cyclohexa-1,5-dien-1-ylmethyl (2S)-2-(2H-tetrazol-5-yl)pyrrolidine-1-carboxylate
CID 143395298
[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-(3-phenylcyclobutyl)methanone
CID 95587198
[2-(4-fluorophenyl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120637114
N-[2-fluoro-5-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-2-(2H-tetrazol-5-yl)pyrrolidine-1-carboxamide
CID 167805847
2,3-dihydro-1,4-benzodioxin-5-yl-[2-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
CID 167936088
[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorophenyl]-[2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone
CID 118649084

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)cyclobutyl]-[2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [3-(4-fluorophenyl)cyclobutyl]-[2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone (CID 166253108) is [3-(4-fluorophenyl)cyclobutyl]-[2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [3-(4-fluorophenyl)cyclobutyl]-[2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [3-(4-fluorophenyl)cyclobutyl]-[2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone is O=C(C1CC(c2ccc(F)cc2)C1)N1CCCC1c1nn[nH]n1.
What is the InChIKey of [3-(4-fluorophenyl)cyclobutyl]-[2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is SLTNKFTWSNRLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O/c17-13-5-3-10(4-6-13)11-8-12(9-11)16(23)22-7-1-2-14(22)15-18-20-21-19-15/h3-6,11-12,14H,1-2,7-9H2,(H,18,19,20,21).
What are the key properties of [3-(4-fluorophenyl)cyclobutyl]-[2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone?
[3-(4-fluorophenyl)cyclobutyl]-[2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 315.35 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)cyclobutyl]-[2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 166253108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).