[3-(2-methylphenoxy)azetidin-1-yl]-[4-(2-methyltetrazol-5-yl)phenyl]methanone

C19H19N5O2 — CID 70774161

IUPAC[3-(2-methylphenoxy)azetidin-1-yl]-[4-(2-methyltetrazol-5-yl)phenyl]methanone
SMILESCc1ccccc1OC1CN(C(=O)c2ccc(-c3nnn(C)n3)cc2)C1
InChIInChI=1S/C19H19N5O2/c1-13-5-3-4-6-17(13)26-16-11-24(12-16)19(25)15-9-7-14(8-10-15)18-20-22-23(2)21-18/h3-10,16H,11-12H2,1-2H3
InChIKeyNDXJZRGBAKHUNT-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.09
Rot. Bonds4

About [3-(2-methylphenoxy)azetidin-1-yl]-[4-(2-methyltetrazol-5-yl)phenyl]methanone

[3-(2-methylphenoxy)azetidin-1-yl]-[4-(2-methyltetrazol-5-yl)phenyl]methanone (PubChem CID 70774161) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is [3-(2-methylphenoxy)azetidin-1-yl]-[4-(2-methyltetrazol-5-yl)phenyl]methanone.

Molecular Properties

Compound Name[3-(2-methylphenoxy)azetidin-1-yl]-[4-(2-methyltetrazol-5-yl)phenyl]methanone
PubChem CID70774161
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name[3-(2-methylphenoxy)azetidin-1-yl]-[4-(2-methyltetrazol-5-yl)phenyl]methanone
SMILESCc1ccccc1OC1CN(C(=O)c2ccc(-c3nnn(C)n3)cc2)C1
InChIInChI=1S/C19H19N5O2/c1-13-5-3-4-6-17(13)26-16-11-24(12-16)19(25)15-9-7-14(8-10-15)18-20-22-23(2)21-18/h3-10,16H,11-12H2,1-2H3
InChIKeyNDXJZRGBAKHUNT-UHFFFAOYSA-N
XLogP2.09
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(2-methylphenoxy)azetidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone
CID 56756894
[4-(difluoromethoxy)phenyl]-[3-(2-methylphenoxy)azetidin-1-yl]methanone
CID 70788889
[3-(2-methylphenoxy)azetidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 70742909
[3-(2-tert-butylphenoxy)azetidin-1-yl]-(4-methylphenyl)methanone
CID 126490501
(3aS,6aR)-5-[4-(2-methyltetrazol-5-yl)benzoyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3-one
CID 162628899
1-(4-benzoyl-2-methylpiperazin-1-yl)-2-[4-(2-methyltetrazol-5-yl)phenyl]ethane-1,2-dione
CID 69413754
[2-(1H-imidazol-2-yl)phenyl]-[3-(2-methylphenoxy)azetidin-1-yl]methanone
CID 72861795
phenyl-[3-(2-propan-2-ylphenoxy)azetidin-1-yl]methanone
CID 59577311
(1R,5S)-3-[4-(2-methyltetrazol-5-yl)benzoyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid
CID 135089318
(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-[4-(2-methyltetrazol-5-yl)phenyl]methanone
CID 50971840
(4-methylphenyl)-(3-pyridin-2-yloxyazetidin-1-yl)methanone
CID 122247097
4-[3-(2-tert-butylphenoxy)azetidine-1-carbonyl]benzoic acid
CID 59577192

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylphenoxy)azetidin-1-yl]-[4-(2-methyltetrazol-5-yl)phenyl]methanone?
The IUPAC name of [3-(2-methylphenoxy)azetidin-1-yl]-[4-(2-methyltetrazol-5-yl)phenyl]methanone (CID 70774161) is [3-(2-methylphenoxy)azetidin-1-yl]-[4-(2-methyltetrazol-5-yl)phenyl]methanone.
What is the SMILES notation for [3-(2-methylphenoxy)azetidin-1-yl]-[4-(2-methyltetrazol-5-yl)phenyl]methanone?
The canonical SMILES for [3-(2-methylphenoxy)azetidin-1-yl]-[4-(2-methyltetrazol-5-yl)phenyl]methanone is Cc1ccccc1OC1CN(C(=O)c2ccc(-c3nnn(C)n3)cc2)C1.
What is the InChIKey of [3-(2-methylphenoxy)azetidin-1-yl]-[4-(2-methyltetrazol-5-yl)phenyl]methanone?
The InChIKey is NDXJZRGBAKHUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-13-5-3-4-6-17(13)26-16-11-24(12-16)19(25)15-9-7-14(8-10-15)18-20-22-23(2)21-18/h3-10,16H,11-12H2,1-2H3.
What are the key properties of [3-(2-methylphenoxy)azetidin-1-yl]-[4-(2-methyltetrazol-5-yl)phenyl]methanone?
[3-(2-methylphenoxy)azetidin-1-yl]-[4-(2-methyltetrazol-5-yl)phenyl]methanone has a molecular weight of 349.39 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylphenoxy)azetidin-1-yl]-[4-(2-methyltetrazol-5-yl)phenyl]methanone is sourced from PubChem (CID 70774161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).