[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone

C19H18N4O2 — CID 95121040

IUPAC[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
SMILESCOc1cccc([C@H]2CCN2C(=O)c2cccc(-n3cnnc3)c2)c1
InChIInChI=1S/C19H18N4O2/c1-25-17-7-3-4-14(11-17)18-8-9-23(18)19(24)15-5-2-6-16(10-15)22-12-20-21-13-22/h2-7,10-13,18H,8-9H2,1H3/t18-/m1/s1
InChIKeyVPHNENSFCRWXQH-GOSISDBHSA-N
MW334.38 g/mol
LogP2.86
Rot. Bonds4

About [(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone

[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone (PubChem CID 95121040) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is [(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone.

Molecular Properties

Compound Name[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
PubChem CID95121040
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
SMILESCOc1cccc([C@H]2CCN2C(=O)c2cccc(-n3cnnc3)c2)c1
InChIInChI=1S/C19H18N4O2/c1-25-17-7-3-4-14(11-17)18-8-9-23(18)19(24)15-5-2-6-16(10-15)22-12-20-21-13-22/h2-7,10-13,18H,8-9H2,1H3/t18-/m1/s1
InChIKeyVPHNENSFCRWXQH-GOSISDBHSA-N
XLogP2.86
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-2-(4-methoxyphenyl)piperidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 97120424
[2-(3-methoxyphenyl)azetidin-1-yl]-[3-(5-methyltetrazol-1-yl)phenyl]methanone
CID 74249670
[2-(4-fluorophenyl)azetidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 72928211
(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-(4-fluorophenyl)piperidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 70775438
[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone
CID 97454861
(2-anilinopyrimidin-5-yl)-[2-(3-methoxyphenyl)azetidin-1-yl]methanone
CID 72850472
(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
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
[2-(3-methoxyphenyl)azetidin-1-yl]-(oxan-4-yl)methanone
CID 74232483

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone?
The IUPAC name of [(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone (CID 95121040) is [(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone.
What is the SMILES notation for [(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone?
The canonical SMILES for [(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone is COc1cccc([C@H]2CCN2C(=O)c2cccc(-n3cnnc3)c2)c1.
What is the InChIKey of [(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone?
The InChIKey is VPHNENSFCRWXQH-GOSISDBHSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-25-17-7-3-4-14(11-17)18-8-9-23(18)19(24)15-5-2-6-16(10-15)22-12-20-21-13-22/h2-7,10-13,18H,8-9H2,1H3/t18-/m1/s1.
What are the key properties of [(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone?
[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone has a molecular weight of 334.38 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone is sourced from PubChem (CID 95121040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).