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

C26H20N4O3 — CID 91905474

IUPAC1H-indol-4-yl-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone
SMILESO=C(c1cccc2[nH]ccc12)N1CC(Oc2ccc(-c3nc(-c4ccccc4)no3)cc2)C1
InChIInChI=1S/C26H20N4O3/c31-26(22-7-4-8-23-21(22)13-14-27-23)30-15-20(16-30)32-19-11-9-18(10-12-19)25-28-24(29-33-25)17-5-2-1-3-6-17/h1-14,20,27H,15-16H2
InChIKeyPUUCWAHAOGHEBP-UHFFFAOYSA-N
MW436.47 g/mol
LogP4.79
Rot. Bonds5

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

1H-indol-4-yl-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone (PubChem CID 91905474) has the molecular formula C26H20N4O3 and a molecular weight of 436.47 g/mol. Its IUPAC name is 1H-indol-4-yl-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone.

Molecular Properties

Compound Name1H-indol-4-yl-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone
PubChem CID91905474
Molecular FormulaC26H20N4O3
Molecular Weight436.47 g/mol
Exact Mass436.15
IUPAC Name1H-indol-4-yl-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone
SMILESO=C(c1cccc2[nH]ccc12)N1CC(Oc2ccc(-c3nc(-c4ccccc4)no3)cc2)C1
InChIInChI=1S/C26H20N4O3/c31-26(22-7-4-8-23-21(22)13-14-27-23)30-15-20(16-30)32-19-11-9-18(10-12-19)25-28-24(29-33-25)17-5-2-1-3-6-17/h1-14,20,27H,15-16H2
InChIKeyPUUCWAHAOGHEBP-UHFFFAOYSA-N
XLogP4.79
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 54.79
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-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone?
The IUPAC name of 1H-indol-4-yl-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone (CID 91905474) is 1H-indol-4-yl-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone.
What is the SMILES notation for 1H-indol-4-yl-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone?
The canonical SMILES for 1H-indol-4-yl-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone is O=C(c1cccc2[nH]ccc12)N1CC(Oc2ccc(-c3nc(-c4ccccc4)no3)cc2)C1.
What is the InChIKey of 1H-indol-4-yl-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone?
The InChIKey is PUUCWAHAOGHEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O3/c31-26(22-7-4-8-23-21(22)13-14-27-23)30-15-20(16-30)32-19-11-9-18(10-12-19)25-28-24(29-33-25)17-5-2-1-3-6-17/h1-14,20,27H,15-16H2.
What are the key properties of 1H-indol-4-yl-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone?
1H-indol-4-yl-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone has a molecular weight of 436.47 g/mol, XLogP of 4.79, 5 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-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone is sourced from PubChem (CID 91905474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).