1H-indol-4-yl-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone

C21H18N4O3 — CID 91905524

IUPAC1H-indol-4-yl-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone
SMILESCc1noc(-c2cccc(OC3CN(C(=O)c4cccc5[nH]ccc45)C3)c2)n1
InChIInChI=1S/C21H18N4O3/c1-13-23-20(28-24-13)14-4-2-5-15(10-14)27-16-11-25(12-16)21(26)18-6-3-7-19-17(18)8-9-22-19/h2-10,16,22H,11-12H2,1H3
InChIKeyJYRSAAPWOKHAHB-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.43
Rot. Bonds4

About 1H-indol-4-yl-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone

1H-indol-4-yl-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone (PubChem CID 91905524) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is 1H-indol-4-yl-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone.

Molecular Properties

Compound Name1H-indol-4-yl-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone
PubChem CID91905524
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Name1H-indol-4-yl-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone
SMILESCc1noc(-c2cccc(OC3CN(C(=O)c4cccc5[nH]ccc45)C3)c2)n1
InChIInChI=1S/C21H18N4O3/c1-13-23-20(28-24-13)14-4-2-5-15(10-14)27-16-11-25(12-16)21(26)18-6-3-7-19-17(18)8-9-22-19/h2-10,16,22H,11-12H2,1H3
InChIKeyJYRSAAPWOKHAHB-UHFFFAOYSA-N
XLogP3.43
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1H-indol-4-yl-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone?
The IUPAC name of 1H-indol-4-yl-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone (CID 91905524) is 1H-indol-4-yl-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone.
What is the SMILES notation for 1H-indol-4-yl-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone?
The canonical SMILES for 1H-indol-4-yl-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone is Cc1noc(-c2cccc(OC3CN(C(=O)c4cccc5[nH]ccc45)C3)c2)n1.
What is the InChIKey of 1H-indol-4-yl-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone?
The InChIKey is JYRSAAPWOKHAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-13-23-20(28-24-13)14-4-2-5-15(10-14)27-16-11-25(12-16)21(26)18-6-3-7-19-17(18)8-9-22-19/h2-10,16,22H,11-12H2,1H3.
What are the key properties of 1H-indol-4-yl-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone?
1H-indol-4-yl-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone has a molecular weight of 374.40 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-4-yl-[3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone is sourced from PubChem (CID 91905524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).