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

C23H20N4O3 — CID 91905490

IUPAC(1-methylpyrrol-2-yl)-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone
SMILESCn1cccc1C(=O)N1CC(Oc2ccc(-c3nc(-c4ccccc4)no3)cc2)C1
InChIInChI=1S/C23H20N4O3/c1-26-13-5-8-20(26)23(28)27-14-19(15-27)29-18-11-9-17(10-12-18)22-24-21(25-30-22)16-6-3-2-4-7-16/h2-13,19H,14-15H2,1H3
InChIKeyTXBRTSDPNZOTNB-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.65
Rot. Bonds5

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

(1-methylpyrrol-2-yl)-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone (PubChem CID 91905490) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is (1-methylpyrrol-2-yl)-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrrol-2-yl)-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone
PubChem CID91905490
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name(1-methylpyrrol-2-yl)-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone
SMILESCn1cccc1C(=O)N1CC(Oc2ccc(-c3nc(-c4ccccc4)no3)cc2)C1
InChIInChI=1S/C23H20N4O3/c1-26-13-5-8-20(26)23(28)27-14-19(15-27)29-18-11-9-17(10-12-18)22-24-21(25-30-22)16-6-3-2-4-7-16/h2-13,19H,14-15H2,1H3
InChIKeyTXBRTSDPNZOTNB-UHFFFAOYSA-N
XLogP3.65
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1-methylpyrrol-2-yl)-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrol-2-yl)-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone?
The IUPAC name of (1-methylpyrrol-2-yl)-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone (CID 91905490) is (1-methylpyrrol-2-yl)-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone.
What is the SMILES notation for (1-methylpyrrol-2-yl)-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone?
The canonical SMILES for (1-methylpyrrol-2-yl)-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone is Cn1cccc1C(=O)N1CC(Oc2ccc(-c3nc(-c4ccccc4)no3)cc2)C1.
What is the InChIKey of (1-methylpyrrol-2-yl)-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone?
The InChIKey is TXBRTSDPNZOTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-26-13-5-8-20(26)23(28)27-14-19(15-27)29-18-11-9-17(10-12-18)22-24-21(25-30-22)16-6-3-2-4-7-16/h2-13,19H,14-15H2,1H3.
What are the key properties of (1-methylpyrrol-2-yl)-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone?
(1-methylpyrrol-2-yl)-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone has a molecular weight of 400.44 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrol-2-yl)-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]azetidin-1-yl]methanone is sourced from PubChem (CID 91905490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).