[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-[[methyl-[(3-methyloxetan-3-yl)methyl]amino]methyl]phenoxy]azetidin-1-yl]methanone

C26H30N4O5 — CID 127030367

IUPAC[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-[[methyl-[(3-methyloxetan-3-yl)methyl]amino]methyl]phenoxy]azetidin-1-yl]methanone
SMILESCOc1ccc(-c2nnc(C(=O)N3CC(Oc4ccc(CN(C)CC5(C)COC5)cc4)C3)o2)cc1
InChIInChI=1S/C26H30N4O5/c1-26(16-33-17-26)15-29(2)12-18-4-8-21(9-5-18)34-22-13-30(14-22)25(31)24-28-27-23(35-24)19-6-10-20(32-3)11-7-19/h4-11,22H,12-17H2,1-3H3
InChIKeyQPXDFWVAPQNHHH-UHFFFAOYSA-N
MW478.55 g/mol
LogP3.12
Rot. Bonds9

About [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-[[methyl-[(3-methyloxetan-3-yl)methyl]amino]methyl]phenoxy]azetidin-1-yl]methanone

[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-[[methyl-[(3-methyloxetan-3-yl)methyl]amino]methyl]phenoxy]azetidin-1-yl]methanone (PubChem CID 127030367) has the molecular formula C26H30N4O5 and a molecular weight of 478.55 g/mol. Its IUPAC name is [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-[[methyl-[(3-methyloxetan-3-yl)methyl]amino]methyl]phenoxy]azetidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-[[methyl-[(3-methyloxetan-3-yl)methyl]amino]methyl]phenoxy]azetidin-1-yl]methanone
PubChem CID127030367
Molecular FormulaC26H30N4O5
Molecular Weight478.55 g/mol
Exact Mass478.22
IUPAC Name[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-[[methyl-[(3-methyloxetan-3-yl)methyl]amino]methyl]phenoxy]azetidin-1-yl]methanone
SMILESCOc1ccc(-c2nnc(C(=O)N3CC(Oc4ccc(CN(C)CC5(C)COC5)cc4)C3)o2)cc1
InChIInChI=1S/C26H30N4O5/c1-26(16-33-17-26)15-29(2)12-18-4-8-21(9-5-18)34-22-13-30(14-22)25(31)24-28-27-23(35-24)19-6-10-20(32-3)11-7-19/h4-11,22H,12-17H2,1-3H3
InChIKeyQPXDFWVAPQNHHH-UHFFFAOYSA-N
XLogP3.12
TPSA90.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-[[methyl-[(3-methyloxetan-3-yl)methyl]amino]methyl]phenoxy]azetidin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-[[methyl-[(3-methyloxetan-3-yl)methyl]amino]methyl]phenoxy]azetidin-1-yl]methanone?
The IUPAC name of [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-[[methyl-[(3-methyloxetan-3-yl)methyl]amino]methyl]phenoxy]azetidin-1-yl]methanone (CID 127030367) is [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-[[methyl-[(3-methyloxetan-3-yl)methyl]amino]methyl]phenoxy]azetidin-1-yl]methanone.
What is the SMILES notation for [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-[[methyl-[(3-methyloxetan-3-yl)methyl]amino]methyl]phenoxy]azetidin-1-yl]methanone?
The canonical SMILES for [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-[[methyl-[(3-methyloxetan-3-yl)methyl]amino]methyl]phenoxy]azetidin-1-yl]methanone is COc1ccc(-c2nnc(C(=O)N3CC(Oc4ccc(CN(C)CC5(C)COC5)cc4)C3)o2)cc1.
What is the InChIKey of [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-[[methyl-[(3-methyloxetan-3-yl)methyl]amino]methyl]phenoxy]azetidin-1-yl]methanone?
The InChIKey is QPXDFWVAPQNHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O5/c1-26(16-33-17-26)15-29(2)12-18-4-8-21(9-5-18)34-22-13-30(14-22)25(31)24-28-27-23(35-24)19-6-10-20(32-3)11-7-19/h4-11,22H,12-17H2,1-3H3.
What are the key properties of [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-[[methyl-[(3-methyloxetan-3-yl)methyl]amino]methyl]phenoxy]azetidin-1-yl]methanone?
[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-[[methyl-[(3-methyloxetan-3-yl)methyl]amino]methyl]phenoxy]azetidin-1-yl]methanone has a molecular weight of 478.55 g/mol, XLogP of 3.12, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-[[methyl-[(3-methyloxetan-3-yl)methyl]amino]methyl]phenoxy]azetidin-1-yl]methanone is sourced from PubChem (CID 127030367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).