3-[3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide

C20H26N4O4 — CID 91911400

IUPAC3-[3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide
SMILESCc1cccc(OCCc2noc(C3CN(C(=O)NCC4CCCO4)C3)n2)c1
InChIInChI=1S/C20H26N4O4/c1-14-4-2-5-16(10-14)27-9-7-18-22-19(28-23-18)15-12-24(13-15)20(25)21-11-17-6-3-8-26-17/h2,4-5,10,15,17H,3,6-9,11-13H2,1H3,(H,21,25)
InChIKeyVWBAIRZVRINIFJ-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.29
Rot. Bonds7

About 3-[3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide

3-[3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide (PubChem CID 91911400) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is 3-[3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-[3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide
PubChem CID91911400
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC Name3-[3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide
SMILESCc1cccc(OCCc2noc(C3CN(C(=O)NCC4CCCO4)C3)n2)c1
InChIInChI=1S/C20H26N4O4/c1-14-4-2-5-16(10-14)27-9-7-18-22-19(28-23-18)15-12-24(13-15)20(25)21-11-17-6-3-8-26-17/h2,4-5,10,15,17H,3,6-9,11-13H2,1H3,(H,21,25)
InChIKeyVWBAIRZVRINIFJ-UHFFFAOYSA-N
XLogP2.29
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide?
The IUPAC name of 3-[3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide (CID 91911400) is 3-[3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-[3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide?
The canonical SMILES for 3-[3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide is Cc1cccc(OCCc2noc(C3CN(C(=O)NCC4CCCO4)C3)n2)c1.
What is the InChIKey of 3-[3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide?
The InChIKey is VWBAIRZVRINIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-14-4-2-5-16(10-14)27-9-7-18-22-19(28-23-18)15-12-24(13-15)20(25)21-11-17-6-3-8-26-17/h2,4-5,10,15,17H,3,6-9,11-13H2,1H3,(H,21,25).
What are the key properties of 3-[3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide?
3-[3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide has a molecular weight of 386.45 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(3-methylphenoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)azetidine-1-carboxamide is sourced from PubChem (CID 91911400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).