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

C19H19N5O2 — CID 74249670

IUPAC[2-(3-methoxyphenyl)azetidin-1-yl]-[3-(5-methyltetrazol-1-yl)phenyl]methanone
SMILESCOc1cccc(C2CCN2C(=O)c2cccc(-n3nnnc3C)c2)c1
InChIInChI=1S/C19H19N5O2/c1-13-20-21-22-24(13)16-7-3-6-15(11-16)19(25)23-10-9-18(23)14-5-4-8-17(12-14)26-2/h3-8,11-12,18H,9-10H2,1-2H3
InChIKeyQBDYZEPWBTVLIL-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.57
Rot. Bonds4

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

[2-(3-methoxyphenyl)azetidin-1-yl]-[3-(5-methyltetrazol-1-yl)phenyl]methanone (PubChem CID 74249670) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is [2-(3-methoxyphenyl)azetidin-1-yl]-[3-(5-methyltetrazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name[2-(3-methoxyphenyl)azetidin-1-yl]-[3-(5-methyltetrazol-1-yl)phenyl]methanone
PubChem CID74249670
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name[2-(3-methoxyphenyl)azetidin-1-yl]-[3-(5-methyltetrazol-1-yl)phenyl]methanone
SMILESCOc1cccc(C2CCN2C(=O)c2cccc(-n3nnnc3C)c2)c1
InChIInChI=1S/C19H19N5O2/c1-13-20-21-22-24(13)16-7-3-6-15(11-16)19(25)23-10-9-18(23)14-5-4-8-17(12-14)26-2/h3-8,11-12,18H,9-10H2,1-2H3
InChIKeyQBDYZEPWBTVLIL-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 95121040
(1,5-dimethylpyrrol-2-yl)-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methanone
CID 99928860
(1,5-dimethylpyrrol-2-yl)-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]methanone
CID 99928859
[3-(5-methyltetrazol-1-yl)phenyl]-morpholin-4-ylmethanone
CID 56763218
(3-chloro-4-pyrrolidin-1-ylphenyl)-[2-(3-methoxyphenyl)azetidin-1-yl]methanone
CID 131949881
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 42934876
(2-anilinopyrimidin-5-yl)-[2-(3-methoxyphenyl)azetidin-1-yl]methanone
CID 72850472
[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone
CID 97454861
[2-(3-bromophenyl)pyrrolidin-1-yl]-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]methanone
CID 55889459
1H-benzimidazol-2-yl-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]methanone
CID 126451844
1H-benzimidazol-2-yl-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methanone
CID 126451843
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyphenyl)azetidin-1-yl]-[3-(5-methyltetrazol-1-yl)phenyl]methanone?
The IUPAC name of [2-(3-methoxyphenyl)azetidin-1-yl]-[3-(5-methyltetrazol-1-yl)phenyl]methanone (CID 74249670) is [2-(3-methoxyphenyl)azetidin-1-yl]-[3-(5-methyltetrazol-1-yl)phenyl]methanone.
What is the SMILES notation for [2-(3-methoxyphenyl)azetidin-1-yl]-[3-(5-methyltetrazol-1-yl)phenyl]methanone?
The canonical SMILES for [2-(3-methoxyphenyl)azetidin-1-yl]-[3-(5-methyltetrazol-1-yl)phenyl]methanone is COc1cccc(C2CCN2C(=O)c2cccc(-n3nnnc3C)c2)c1.
What is the InChIKey of [2-(3-methoxyphenyl)azetidin-1-yl]-[3-(5-methyltetrazol-1-yl)phenyl]methanone?
The InChIKey is QBDYZEPWBTVLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-13-20-21-22-24(13)16-7-3-6-15(11-16)19(25)23-10-9-18(23)14-5-4-8-17(12-14)26-2/h3-8,11-12,18H,9-10H2,1-2H3.
What are the key properties of [2-(3-methoxyphenyl)azetidin-1-yl]-[3-(5-methyltetrazol-1-yl)phenyl]methanone?
[2-(3-methoxyphenyl)azetidin-1-yl]-[3-(5-methyltetrazol-1-yl)phenyl]methanone has a molecular weight of 349.39 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyphenyl)azetidin-1-yl]-[3-(5-methyltetrazol-1-yl)phenyl]methanone is sourced from PubChem (CID 74249670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).