5-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole

C15H22N4O3 — CID 56719548

IUPAC5-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
SMILESCOCc1c(-c2nc(CC3CCN(C)CC3)no2)noc1C
InChIInChI=1S/C15H22N4O3/c1-10-12(9-20-3)14(18-21-10)15-16-13(17-22-15)8-11-4-6-19(2)7-5-11/h11H,4-9H2,1-3H3
InChIKeyCHQWGRZGCYGQPF-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.06
Rot. Bonds5

About 5-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole

5-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole (PubChem CID 56719548) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 5-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
PubChem CID56719548
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name5-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
SMILESCOCc1c(-c2nc(CC3CCN(C)CC3)no2)noc1C
InChIInChI=1S/C15H22N4O3/c1-10-12(9-20-3)14(18-21-10)15-16-13(17-22-15)8-11-4-6-19(2)7-5-11/h11H,4-9H2,1-3H3
InChIKeyCHQWGRZGCYGQPF-UHFFFAOYSA-N
XLogP2.06
TPSA77.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,5-Dimethyl-1,2-oxazol-4-yl)-1-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone
CID 72147074
5-{4,4-Difluoro-1-[4-(methoxymethyl)-5-methyl-1,2-oxazole-3-carbonyl]pyrrolidin-2-YL}-3-methyl-1,2,4-oxadiazole
CID 110203121
4-[[5-(3,5-Dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]morpholine
CID 2739256
2-(3,5-Dimethylisoxazol-4-yl)-1-(2-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl)ethan-1-one
CID 53191931
2-(3,5-Dimethyl-1,2-oxazol-4-YL)-1-{2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-YL]piperidin-1-YL}ethan-1-one
CID 53191947
1-[2-(3-Cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 53191971
2-(3,5-Dimethyl-1,2-oxazol-4-YL)-1-{4-[3-(oxan-4-YL)-1,2,4-oxadiazol-5-YL]piperidin-1-YL}ethan-1-one
CID 91908018
[(3S)-3-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-1-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone
CID 164632414
[(2S)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,4-difluoropyrrolidin-1-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone
CID 124050844
[3-Fluoro-3-(3-tetrahydro-2H-pyran-4-YL-1,2,4-oxadiazol-5-YL)-1-pyrrolidinyl][4-(methoxymethyl)-5-methyl-3-isoxazolyl]methanone
CID 137893094
[5-Methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2-oxazol-4-yl]methanamine
CID 57571588
Tert-butyl 5-methyl-3-(3-methyl-[1,2,4]oxadiazol-5-yl)-isoxazole-4-carboxylate
CID 57571592

Frequently Asked Questions

What is the IUPAC name of 5-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole (CID 56719548) is 5-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole is COCc1c(-c2nc(CC3CCN(C)CC3)no2)noc1C.
What is the InChIKey of 5-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is CHQWGRZGCYGQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-10-12(9-20-3)14(18-21-10)15-16-13(17-22-15)8-11-4-6-19(2)7-5-11/h11H,4-9H2,1-3H3.
What are the key properties of 5-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole?
5-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 306.37 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 56719548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).