(2R)-1-[3-(4-fluorophenoxy)azetidin-1-yl]-2-(5-methyltetrazol-1-yl)-2-phenylethanone

C19H18FN5O2 — CID 126430189

IUPAC(2R)-1-[3-(4-fluorophenoxy)azetidin-1-yl]-2-(5-methyltetrazol-1-yl)-2-phenylethanone
SMILESCc1nnnn1[C@@H](C(=O)N1CC(Oc2ccc(F)cc2)C1)c1ccccc1
InChIInChI=1S/C19H18FN5O2/c1-13-21-22-23-25(13)18(14-5-3-2-4-6-14)19(26)24-11-17(12-24)27-16-9-7-15(20)8-10-16/h2-10,17-18H,11-12H2,1H3/t18-/m1/s1
InChIKeyCTHAXRXNOIGMPU-GOSISDBHSA-N
MW367.38 g/mol
LogP2.00
Rot. Bonds5

About (2R)-1-[3-(4-fluorophenoxy)azetidin-1-yl]-2-(5-methyltetrazol-1-yl)-2-phenylethanone

(2R)-1-[3-(4-fluorophenoxy)azetidin-1-yl]-2-(5-methyltetrazol-1-yl)-2-phenylethanone (PubChem CID 126430189) has the molecular formula C19H18FN5O2 and a molecular weight of 367.38 g/mol. Its IUPAC name is (2R)-1-[3-(4-fluorophenoxy)azetidin-1-yl]-2-(5-methyltetrazol-1-yl)-2-phenylethanone.

Molecular Properties

Compound Name(2R)-1-[3-(4-fluorophenoxy)azetidin-1-yl]-2-(5-methyltetrazol-1-yl)-2-phenylethanone
PubChem CID126430189
Molecular FormulaC19H18FN5O2
Molecular Weight367.38 g/mol
Exact Mass367.14
IUPAC Name(2R)-1-[3-(4-fluorophenoxy)azetidin-1-yl]-2-(5-methyltetrazol-1-yl)-2-phenylethanone
SMILESCc1nnnn1[C@@H](C(=O)N1CC(Oc2ccc(F)cc2)C1)c1ccccc1
InChIInChI=1S/C19H18FN5O2/c1-13-21-22-23-25(13)18(14-5-3-2-4-6-14)19(26)24-11-17(12-24)27-16-9-7-15(20)8-10-16/h2-10,17-18H,11-12H2,1H3/t18-/m1/s1
InChIKeyCTHAXRXNOIGMPU-GOSISDBHSA-N
XLogP2.00
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2R)-1-[3-(4-fluorophenoxy)azetidin-1-yl]-2-(5-methyltetrazol-1-yl)-2-phenylethanone with MolForge

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Related Compounds

1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-(5-methyltetrazol-1-yl)-2-phenylethanone
CID 119070972
2-(dimethylamino)-1-[3-(4-fluorophenoxy)azetidin-1-yl]propan-1-one
CID 119073145
(2S)-2-(5-methyltetrazol-1-yl)-2-phenyl-1-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]ethanone
CID 126448662
(2R)-2-(2-chlorophenyl)-1-[3-(4-fluorophenoxy)azetidin-1-yl]-2-hydroxyethanone
CID 99955291
1-[3-(4-methylphenoxy)azetidin-1-yl]-2-pyridin-3-yl-2-pyrrolidin-1-ylethanone
CID 118767818
(2S)-N-[(3-methyloxetan-3-yl)methyl]-2-(5-methyltetrazol-1-yl)-2-phenylacetamide
CID 99973558
(2R)-2-(dimethylamino)-2-(4-fluorophenyl)-1-[3-(3-methoxyphenoxy)azetidin-1-yl]ethanone
CID 97198398
N-[(3-methyloxetan-3-yl)methyl]-2-(5-methyltetrazol-1-yl)-2-phenylacetamide
CID 86284797
3-amino-1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-phenylpropan-1-one
CID 119950821
(2S)-2-(5-methyltetrazol-1-yl)-2-phenyl-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide
CID 126449375
(4R)-1-tert-butyl-4-[3-(4-fluorophenoxy)azetidine-1-carbonyl]pyrrolidin-2-one
CID 97154166
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropan-1-one
CID 111561044

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-(4-fluorophenoxy)azetidin-1-yl]-2-(5-methyltetrazol-1-yl)-2-phenylethanone?
The IUPAC name of (2R)-1-[3-(4-fluorophenoxy)azetidin-1-yl]-2-(5-methyltetrazol-1-yl)-2-phenylethanone (CID 126430189) is (2R)-1-[3-(4-fluorophenoxy)azetidin-1-yl]-2-(5-methyltetrazol-1-yl)-2-phenylethanone.
What is the SMILES notation for (2R)-1-[3-(4-fluorophenoxy)azetidin-1-yl]-2-(5-methyltetrazol-1-yl)-2-phenylethanone?
The canonical SMILES for (2R)-1-[3-(4-fluorophenoxy)azetidin-1-yl]-2-(5-methyltetrazol-1-yl)-2-phenylethanone is Cc1nnnn1[C@@H](C(=O)N1CC(Oc2ccc(F)cc2)C1)c1ccccc1.
What is the InChIKey of (2R)-1-[3-(4-fluorophenoxy)azetidin-1-yl]-2-(5-methyltetrazol-1-yl)-2-phenylethanone?
The InChIKey is CTHAXRXNOIGMPU-GOSISDBHSA-N. The full InChI is InChI=1S/C19H18FN5O2/c1-13-21-22-23-25(13)18(14-5-3-2-4-6-14)19(26)24-11-17(12-24)27-16-9-7-15(20)8-10-16/h2-10,17-18H,11-12H2,1H3/t18-/m1/s1.
What are the key properties of (2R)-1-[3-(4-fluorophenoxy)azetidin-1-yl]-2-(5-methyltetrazol-1-yl)-2-phenylethanone?
(2R)-1-[3-(4-fluorophenoxy)azetidin-1-yl]-2-(5-methyltetrazol-1-yl)-2-phenylethanone has a molecular weight of 367.38 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-(4-fluorophenoxy)azetidin-1-yl]-2-(5-methyltetrazol-1-yl)-2-phenylethanone is sourced from PubChem (CID 126430189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).