[2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-morpholin-4-ylmethanone

C18H22N4O5 — CID 75474719

IUPAC[2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(-c2nc(C3CN(C(=O)N4CCOCC4)CCO3)no2)cc1
InChIInChI=1S/C18H22N4O5/c1-24-14-4-2-13(3-5-14)17-19-16(20-27-17)15-12-22(8-11-26-15)18(23)21-6-9-25-10-7-21/h2-5,15H,6-12H2,1H3
InChIKeyDMNQATKRUQYBBF-UHFFFAOYSA-N
MW374.40 g/mol
LogP1.57
Rot. Bonds3

About [2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-morpholin-4-ylmethanone

[2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-morpholin-4-ylmethanone (PubChem CID 75474719) has the molecular formula C18H22N4O5 and a molecular weight of 374.40 g/mol. Its IUPAC name is [2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-morpholin-4-ylmethanone
PubChem CID75474719
Molecular FormulaC18H22N4O5
Molecular Weight374.40 g/mol
Exact Mass374.16
IUPAC Name[2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(-c2nc(C3CN(C(=O)N4CCOCC4)CCO3)no2)cc1
InChIInChI=1S/C18H22N4O5/c1-24-14-4-2-13(3-5-14)17-19-16(20-27-17)15-12-22(8-11-26-15)18(23)21-6-9-25-10-7-21/h2-5,15H,6-12H2,1H3
InChIKeyDMNQATKRUQYBBF-UHFFFAOYSA-N
XLogP1.57
TPSA90.16 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(2S)-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]butan-1-one
CID 97345130
2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-4-methylmorpholine
CID 75483942
N-ethyl-2-[(2R)-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]acetamide
CID 97344606
(2S)-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-4-(4-methoxypyrimidin-2-yl)morpholine
CID 97344123
N-ethyl-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylmorpholine-4-sulfonamide
CID 75474717
1-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one
CID 166409198
(2S)-2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-4-(pyridin-2-ylmethyl)morpholine
CID 97344255
2-(4-methoxyphenyl)-2-methyl-1-[(2R)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]propan-1-one
CID 97345083
(3-methoxyphenyl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 75474844
(3-fluorophenyl)-[(2R)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 97345107
morpholin-4-yl-(2-phenylmorpholin-4-yl)methanone
CID 110291317
morpholin-4-yl-[(3R)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 97344845

Frequently Asked Questions

What is the IUPAC name of [2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-morpholin-4-ylmethanone (CID 75474719) is [2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-morpholin-4-ylmethanone is COc1ccc(-c2nc(C3CN(C(=O)N4CCOCC4)CCO3)no2)cc1.
What is the InChIKey of [2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is DMNQATKRUQYBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O5/c1-24-14-4-2-13(3-5-14)17-19-16(20-27-17)15-12-22(8-11-26-15)18(23)21-6-9-25-10-7-21/h2-5,15H,6-12H2,1H3.
What are the key properties of [2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-morpholin-4-ylmethanone?
[2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 374.40 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 75474719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).