[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone

C18H21N7O4 — CID 155500127

IUPAC[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone
SMILESCOCCn1nnc(C2CN(C(=O)c3cccc(-c4noc(C)n4)c3)CCO2)n1
InChIInChI=1S/C18H21N7O4/c1-12-19-16(22-29-12)13-4-3-5-14(10-13)18(26)24-6-9-28-15(11-24)17-20-23-25(21-17)7-8-27-2/h3-5,10,15H,6-9,11H2,1-2H3
InChIKeyXLYWMRKTJUJFFD-UHFFFAOYSA-N
MW399.41 g/mol
LogP0.89
Rot. Bonds6

About [2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone

[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone (PubChem CID 155500127) has the molecular formula C18H21N7O4 and a molecular weight of 399.41 g/mol. Its IUPAC name is [2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone.

Molecular Properties

Compound Name[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone
PubChem CID155500127
Molecular FormulaC18H21N7O4
Molecular Weight399.41 g/mol
Exact Mass399.17
IUPAC Name[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone
SMILESCOCCn1nnc(C2CN(C(=O)c3cccc(-c4noc(C)n4)c3)CCO2)n1
InChIInChI=1S/C18H21N7O4/c1-12-19-16(22-29-12)13-4-3-5-14(10-13)18(26)24-6-9-28-15(11-24)17-20-23-25(21-17)7-8-27-2/h3-5,10,15H,6-9,11H2,1-2H3
InChIKeyXLYWMRKTJUJFFD-UHFFFAOYSA-N
XLogP0.89
TPSA121.29 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-([1,2]oxazolo[3,4-b]pyridin-3-yl)methanone
CID 155507138
1-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-3-phenoxypropan-1-one
CID 155493815
3-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]sulfonylbenzoic acid
CID 155497759
N-(3-chloro-4-methylphenyl)-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine-4-carboxamide
CID 155496538
(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]methanone
CID 155497460
1-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 72875963
(3-benzylpiperidin-1-yl)-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 71009872
[(2R)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone
CID 92604247
(3-fluorophenyl)-[(2R)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 97345107
[4-(3-methylbutoxy)phenyl]-[2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 75474800
(3-methoxyphenyl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
CID 75474844
4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine
CID 155503723

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone?
The IUPAC name of [2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone (CID 155500127) is [2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone.
What is the SMILES notation for [2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone?
The canonical SMILES for [2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone is COCCn1nnc(C2CN(C(=O)c3cccc(-c4noc(C)n4)c3)CCO2)n1.
What is the InChIKey of [2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone?
The InChIKey is XLYWMRKTJUJFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O4/c1-12-19-16(22-29-12)13-4-3-5-14(10-13)18(26)24-6-9-28-15(11-24)17-20-23-25(21-17)7-8-27-2/h3-5,10,15H,6-9,11H2,1-2H3.
What are the key properties of [2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone?
[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone has a molecular weight of 399.41 g/mol, XLogP of 0.89, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone is sourced from PubChem (CID 155500127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).