[3-[3-methoxy-4-(morpholin-4-ylmethyl)phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone

C25H28N4O6 — CID 56597542

IUPAC[3-[3-methoxy-4-(morpholin-4-ylmethyl)phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone
SMILESCOc1ccc(-c2nnc(C(=O)N3CC(Oc4ccc(CN5CCOCC5)c(OC)c4)C3)o2)cc1
InChIInChI=1S/C25H28N4O6/c1-31-19-6-3-17(4-7-19)23-26-27-24(35-23)25(30)29-15-21(16-29)34-20-8-5-18(22(13-20)32-2)14-28-9-11-33-12-10-28/h3-8,13,21H,9-12,14-16H2,1-2H3
InChIKeyPLIGIDXAMNZKAT-UHFFFAOYSA-N
MW480.52 g/mol
LogP2.49
Rot. Bonds8

About [3-[3-methoxy-4-(morpholin-4-ylmethyl)phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone

[3-[3-methoxy-4-(morpholin-4-ylmethyl)phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone (PubChem CID 56597542) has the molecular formula C25H28N4O6 and a molecular weight of 480.52 g/mol. Its IUPAC name is [3-[3-methoxy-4-(morpholin-4-ylmethyl)phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone.

Molecular Properties

Compound Name[3-[3-methoxy-4-(morpholin-4-ylmethyl)phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone
PubChem CID56597542
Molecular FormulaC25H28N4O6
Molecular Weight480.52 g/mol
Exact Mass480.20
IUPAC Name[3-[3-methoxy-4-(morpholin-4-ylmethyl)phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone
SMILESCOc1ccc(-c2nnc(C(=O)N3CC(Oc4ccc(CN5CCOCC5)c(OC)c4)C3)o2)cc1
InChIInChI=1S/C25H28N4O6/c1-31-19-6-3-17(4-7-19)23-26-27-24(35-23)25(30)29-15-21(16-29)34-20-8-5-18(22(13-20)32-2)14-28-9-11-33-12-10-28/h3-8,13,21H,9-12,14-16H2,1-2H3
InChIKeyPLIGIDXAMNZKAT-UHFFFAOYSA-N
XLogP2.49
TPSA99.39 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.52
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [3-[3-methoxy-4-(morpholin-4-ylmethyl)phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone?
The IUPAC name of [3-[3-methoxy-4-(morpholin-4-ylmethyl)phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone (CID 56597542) is [3-[3-methoxy-4-(morpholin-4-ylmethyl)phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone.
What is the SMILES notation for [3-[3-methoxy-4-(morpholin-4-ylmethyl)phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone?
The canonical SMILES for [3-[3-methoxy-4-(morpholin-4-ylmethyl)phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone is COc1ccc(-c2nnc(C(=O)N3CC(Oc4ccc(CN5CCOCC5)c(OC)c4)C3)o2)cc1.
What is the InChIKey of [3-[3-methoxy-4-(morpholin-4-ylmethyl)phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone?
The InChIKey is PLIGIDXAMNZKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O6/c1-31-19-6-3-17(4-7-19)23-26-27-24(35-23)25(30)29-15-21(16-29)34-20-8-5-18(22(13-20)32-2)14-28-9-11-33-12-10-28/h3-8,13,21H,9-12,14-16H2,1-2H3.
What are the key properties of [3-[3-methoxy-4-(morpholin-4-ylmethyl)phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone?
[3-[3-methoxy-4-(morpholin-4-ylmethyl)phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone has a molecular weight of 480.52 g/mol, XLogP of 2.49, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-methoxy-4-(morpholin-4-ylmethyl)phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone is sourced from PubChem (CID 56597542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).