[3-[4-[(dimethylamino)methyl]-2-methylphenoxy]azetidin-1-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone

C22H24N4O3 — CID 56597689

IUPAC[3-[4-[(dimethylamino)methyl]-2-methylphenoxy]azetidin-1-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone
SMILESCc1cc(CN(C)C)ccc1OC1CN(C(=O)c2nnc(-c3ccccc3)o2)C1
InChIInChI=1S/C22H24N4O3/c1-15-11-16(12-25(2)3)9-10-19(15)28-18-13-26(14-18)22(27)21-24-23-20(29-21)17-7-5-4-6-8-17/h4-11,18H,12-14H2,1-3H3
InChIKeyJEDWHKAWYKJOTJ-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.01
Rot. Bonds6

About [3-[4-[(dimethylamino)methyl]-2-methylphenoxy]azetidin-1-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone

[3-[4-[(dimethylamino)methyl]-2-methylphenoxy]azetidin-1-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone (PubChem CID 56597689) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is [3-[4-[(dimethylamino)methyl]-2-methylphenoxy]azetidin-1-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone.

Molecular Properties

Compound Name[3-[4-[(dimethylamino)methyl]-2-methylphenoxy]azetidin-1-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone
PubChem CID56597689
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name[3-[4-[(dimethylamino)methyl]-2-methylphenoxy]azetidin-1-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone
SMILESCc1cc(CN(C)C)ccc1OC1CN(C(=O)c2nnc(-c3ccccc3)o2)C1
InChIInChI=1S/C22H24N4O3/c1-15-11-16(12-25(2)3)9-10-19(15)28-18-13-26(14-18)22(27)21-24-23-20(29-21)17-7-5-4-6-8-17/h4-11,18H,12-14H2,1-3H3
InChIKeyJEDWHKAWYKJOTJ-UHFFFAOYSA-N
XLogP3.01
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[4-[(dimethylamino)methyl]-2-methylphenoxy]azetidin-1-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone?
The IUPAC name of [3-[4-[(dimethylamino)methyl]-2-methylphenoxy]azetidin-1-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone (CID 56597689) is [3-[4-[(dimethylamino)methyl]-2-methylphenoxy]azetidin-1-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone.
What is the SMILES notation for [3-[4-[(dimethylamino)methyl]-2-methylphenoxy]azetidin-1-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone?
The canonical SMILES for [3-[4-[(dimethylamino)methyl]-2-methylphenoxy]azetidin-1-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone is Cc1cc(CN(C)C)ccc1OC1CN(C(=O)c2nnc(-c3ccccc3)o2)C1.
What is the InChIKey of [3-[4-[(dimethylamino)methyl]-2-methylphenoxy]azetidin-1-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone?
The InChIKey is JEDWHKAWYKJOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-15-11-16(12-25(2)3)9-10-19(15)28-18-13-26(14-18)22(27)21-24-23-20(29-21)17-7-5-4-6-8-17/h4-11,18H,12-14H2,1-3H3.
What are the key properties of [3-[4-[(dimethylamino)methyl]-2-methylphenoxy]azetidin-1-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone?
[3-[4-[(dimethylamino)methyl]-2-methylphenoxy]azetidin-1-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone has a molecular weight of 392.46 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[(dimethylamino)methyl]-2-methylphenoxy]azetidin-1-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone is sourced from PubChem (CID 56597689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).