[4-chloro-5-methoxy-2-(triazol-2-yl)phenyl]-[(2S)-2-[5-(2-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone

C22H20ClN7O4 — CID 86268939

IUPAC[4-chloro-5-methoxy-2-(triazol-2-yl)phenyl]-[(2S)-2-[5-(2-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone
SMILESCCOc1ncccc1-c1nc([C@@H]2CCN2C(=O)c2cc(OC)c(Cl)cc2-n2nccn2)no1
InChIInChI=1S/C22H20ClN7O4/c1-3-33-20-13(5-4-7-24-20)21-27-19(28-34-21)16-6-10-29(16)22(31)14-11-18(32-2)15(23)12-17(14)30-25-8-9-26-30/h4-5,7-9,11-12,16H,3,6,10H2,1-2H3/t16-/m0/s1
InChIKeyMWJLXCJLYMSCEX-INIZCTEOSA-N
MW481.90 g/mol
LogP3.36
Rot. Bonds7

About [4-chloro-5-methoxy-2-(triazol-2-yl)phenyl]-[(2S)-2-[5-(2-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone

[4-chloro-5-methoxy-2-(triazol-2-yl)phenyl]-[(2S)-2-[5-(2-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone (PubChem CID 86268939) has the molecular formula C22H20ClN7O4 and a molecular weight of 481.90 g/mol. Its IUPAC name is [4-chloro-5-methoxy-2-(triazol-2-yl)phenyl]-[(2S)-2-[5-(2-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone.

Molecular Properties

Compound Name[4-chloro-5-methoxy-2-(triazol-2-yl)phenyl]-[(2S)-2-[5-(2-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone
PubChem CID86268939
Molecular FormulaC22H20ClN7O4
Molecular Weight481.90 g/mol
Exact Mass481.13
IUPAC Name[4-chloro-5-methoxy-2-(triazol-2-yl)phenyl]-[(2S)-2-[5-(2-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone
SMILESCCOc1ncccc1-c1nc([C@@H]2CCN2C(=O)c2cc(OC)c(Cl)cc2-n2nccn2)no1
InChIInChI=1S/C22H20ClN7O4/c1-3-33-20-13(5-4-7-24-20)21-27-19(28-34-21)16-6-10-29(16)22(31)14-11-18(32-2)15(23)12-17(14)30-25-8-9-26-30/h4-5,7-9,11-12,16H,3,6,10H2,1-2H3/t16-/m0/s1
InChIKeyMWJLXCJLYMSCEX-INIZCTEOSA-N
XLogP3.36
TPSA121.29 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.90
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze [4-chloro-5-methoxy-2-(triazol-2-yl)phenyl]-[(2S)-2-[5-(2-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone with MolForge

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Related Compounds

CID 86269345
CID 86269345
CID 86268731
CID 86268731
CID 86269135
CID 86269135
CID 86269346
CID 86269346
CID 117871881
CID 117871881
CID 117872151
CID 117872151
CID 86267490
CID 86267490
CID 86267695
CID 86267695
CID 86268127
CID 86268127
CID 86268517
CID 86268517
CID 86268520
CID 86268520
CID 86268935
CID 86268935

Frequently Asked Questions

What is the IUPAC name of [4-chloro-5-methoxy-2-(triazol-2-yl)phenyl]-[(2S)-2-[5-(2-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone?
The IUPAC name of [4-chloro-5-methoxy-2-(triazol-2-yl)phenyl]-[(2S)-2-[5-(2-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone (CID 86268939) is [4-chloro-5-methoxy-2-(triazol-2-yl)phenyl]-[(2S)-2-[5-(2-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone.
What is the SMILES notation for [4-chloro-5-methoxy-2-(triazol-2-yl)phenyl]-[(2S)-2-[5-(2-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone?
The canonical SMILES for [4-chloro-5-methoxy-2-(triazol-2-yl)phenyl]-[(2S)-2-[5-(2-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone is CCOc1ncccc1-c1nc([C@@H]2CCN2C(=O)c2cc(OC)c(Cl)cc2-n2nccn2)no1.
What is the InChIKey of [4-chloro-5-methoxy-2-(triazol-2-yl)phenyl]-[(2S)-2-[5-(2-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone?
The InChIKey is MWJLXCJLYMSCEX-INIZCTEOSA-N. The full InChI is InChI=1S/C22H20ClN7O4/c1-3-33-20-13(5-4-7-24-20)21-27-19(28-34-21)16-6-10-29(16)22(31)14-11-18(32-2)15(23)12-17(14)30-25-8-9-26-30/h4-5,7-9,11-12,16H,3,6,10H2,1-2H3/t16-/m0/s1.
What are the key properties of [4-chloro-5-methoxy-2-(triazol-2-yl)phenyl]-[(2S)-2-[5-(2-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone?
[4-chloro-5-methoxy-2-(triazol-2-yl)phenyl]-[(2S)-2-[5-(2-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone has a molecular weight of 481.90 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-5-methoxy-2-(triazol-2-yl)phenyl]-[(2S)-2-[5-(2-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone is sourced from PubChem (CID 86268939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).