[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-(2-methyl-4-pyridinyl)methanone

C15H18N4O4 — CID 136538138

IUPAC[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-(2-methyl-4-pyridinyl)methanone
SMILESCOCc1nc(C2COCCN2C(=O)c2ccnc(C)c2)no1
InChIInChI=1S/C15H18N4O4/c1-10-7-11(3-4-16-10)15(20)19-5-6-22-8-12(19)14-17-13(9-21-2)23-18-14/h3-4,7,12H,5-6,8-9H2,1-2H3
InChIKeyTVWJEDIPSBVCIY-UHFFFAOYSA-N
MW318.33 g/mol
LogP1.13
Rot. Bonds4

About [3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-(2-methyl-4-pyridinyl)methanone

[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-(2-methyl-4-pyridinyl)methanone (PubChem CID 136538138) has the molecular formula C15H18N4O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is [3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-(2-methyl-4-pyridinyl)methanone.

Molecular Properties

Compound Name[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-(2-methyl-4-pyridinyl)methanone
PubChem CID136538138
Molecular FormulaC15H18N4O4
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC Name[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-(2-methyl-4-pyridinyl)methanone
SMILESCOCc1nc(C2COCCN2C(=O)c2ccnc(C)c2)no1
InChIInChI=1S/C15H18N4O4/c1-10-7-11(3-4-16-10)15(20)19-5-6-22-8-12(19)14-17-13(9-21-2)23-18-14/h3-4,7,12H,5-6,8-9H2,1-2H3
InChIKeyTVWJEDIPSBVCIY-UHFFFAOYSA-N
XLogP1.13
TPSA90.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(1-cyclobutylpyrazol-4-yl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]methanone
CID 138026961
(1-ethylindol-2-yl)-[(3S)-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]methanone
CID 97345254
1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-2-naphthalen-2-ylethanone
CID 75474958
3-(1-benzofuran-2-yl)-1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]prop-2-en-1-one
CID 126774120
3-(3-chlorophenyl)-1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]prop-2-en-1-one
CID 126767891
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide
CID 127926168
[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]-phenylmethanone
CID 75475073
(3,3-difluorocyclohexyl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]methanone
CID 136540499
(2,6-dimethyl-4-pyridinyl)-[(3R)-3-[4-[ethyl(methyl)amino]pyrimidin-2-yl]morpholin-4-yl]methanone
CID 97483353
[2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 91920672
[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 75475086
[(3R)-3-[4-(2-methoxyethylamino)pyrimidin-2-yl]morpholin-4-yl]-pyridazin-4-ylmethanone
CID 97486030

Frequently Asked Questions

What is the IUPAC name of [3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-(2-methyl-4-pyridinyl)methanone?
The IUPAC name of [3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-(2-methyl-4-pyridinyl)methanone (CID 136538138) is [3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-(2-methyl-4-pyridinyl)methanone.
What is the SMILES notation for [3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-(2-methyl-4-pyridinyl)methanone?
The canonical SMILES for [3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-(2-methyl-4-pyridinyl)methanone is COCc1nc(C2COCCN2C(=O)c2ccnc(C)c2)no1.
What is the InChIKey of [3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-(2-methyl-4-pyridinyl)methanone?
The InChIKey is TVWJEDIPSBVCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4/c1-10-7-11(3-4-16-10)15(20)19-5-6-22-8-12(19)14-17-13(9-21-2)23-18-14/h3-4,7,12H,5-6,8-9H2,1-2H3.
What are the key properties of [3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-(2-methyl-4-pyridinyl)methanone?
[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-(2-methyl-4-pyridinyl)methanone has a molecular weight of 318.33 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-(2-methyl-4-pyridinyl)methanone is sourced from PubChem (CID 136538138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).