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

C24H26N4O4 — CID 56597407

IUPAC[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]azetidin-1-yl]methanone
SMILESCOc1ccc(-c2nnc(C(=O)N3CC(Oc4ccc(CN5CCCC5)cc4)C3)o2)cc1
InChIInChI=1S/C24H26N4O4/c1-30-19-10-6-18(7-11-19)22-25-26-23(32-22)24(29)28-15-21(16-28)31-20-8-4-17(5-9-20)14-27-12-2-3-13-27/h4-11,21H,2-3,12-16H2,1H3
InChIKeyWYFUMSGPZNMEEQ-UHFFFAOYSA-N
MW434.50 g/mol
LogP3.24
Rot. Bonds7

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

[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]azetidin-1-yl]methanone (PubChem CID 56597407) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]azetidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]azetidin-1-yl]methanone
PubChem CID56597407
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]azetidin-1-yl]methanone
SMILESCOc1ccc(-c2nnc(C(=O)N3CC(Oc4ccc(CN5CCCC5)cc4)C3)o2)cc1
InChIInChI=1S/C24H26N4O4/c1-30-19-10-6-18(7-11-19)22-25-26-23(32-22)24(29)28-15-21(16-28)31-20-8-4-17(5-9-20)14-27-12-2-3-13-27/h4-11,21H,2-3,12-16H2,1H3
InChIKeyWYFUMSGPZNMEEQ-UHFFFAOYSA-N
XLogP3.24
TPSA80.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]azetidin-1-yl]methanone?
The IUPAC name of [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]azetidin-1-yl]methanone (CID 56597407) is [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]azetidin-1-yl]methanone.
What is the SMILES notation for [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]azetidin-1-yl]methanone?
The canonical SMILES for [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]azetidin-1-yl]methanone is COc1ccc(-c2nnc(C(=O)N3CC(Oc4ccc(CN5CCCC5)cc4)C3)o2)cc1.
What is the InChIKey of [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]azetidin-1-yl]methanone?
The InChIKey is WYFUMSGPZNMEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-30-19-10-6-18(7-11-19)22-25-26-23(32-22)24(29)28-15-21(16-28)31-20-8-4-17(5-9-20)14-27-12-2-3-13-27/h4-11,21H,2-3,12-16H2,1H3.
What are the key properties of [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]azetidin-1-yl]methanone?
[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]azetidin-1-yl]methanone has a molecular weight of 434.50 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-(pyrrolidin-1-ylmethyl)phenoxy]azetidin-1-yl]methanone is sourced from PubChem (CID 56597407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).