3-[ethoxy(oxan-4-yl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazole

C14H19N3O4 — CID 136572097

IUPAC3-[ethoxy(oxan-4-yl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazole
SMILESCCOC(c1noc(-c2cc(C)no2)n1)C1CCOCC1
InChIInChI=1S/C14H19N3O4/c1-3-19-12(10-4-6-18-7-5-10)13-15-14(21-17-13)11-8-9(2)16-20-11/h8,10,12H,3-7H2,1-2H3
InChIKeyGPTSGFLAVXKVFA-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.54
Rot. Bonds5

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

3-[ethoxy(oxan-4-yl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazole (PubChem CID 136572097) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 3-[ethoxy(oxan-4-yl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[ethoxy(oxan-4-yl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazole
PubChem CID136572097
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name3-[ethoxy(oxan-4-yl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazole
SMILESCCOC(c1noc(-c2cc(C)no2)n1)C1CCOCC1
InChIInChI=1S/C14H19N3O4/c1-3-19-12(10-4-6-18-7-5-10)13-15-14(21-17-13)11-8-9(2)16-20-11/h8,10,12H,3-7H2,1-2H3
InChIKeyGPTSGFLAVXKVFA-UHFFFAOYSA-N
XLogP2.54
TPSA83.41 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-4-methylaniline
CID 116703741
4-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]aniline
CID 116703850
3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 116733875
1-[5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol
CID 103096517
3-(1-chloropropyl)-5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazole
CID 103095483
2-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]aniline
CID 116703677
1-[5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-morpholin-4-ylethanamine
CID 104636131
[5-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-yl]methanamine
CID 116703734
3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136928505
3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 116703876
[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol
CID 116733877
3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine
CID 116703615

Frequently Asked Questions

What is the IUPAC name of 3-[ethoxy(oxan-4-yl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-[ethoxy(oxan-4-yl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazole (CID 136572097) is 3-[ethoxy(oxan-4-yl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[ethoxy(oxan-4-yl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[ethoxy(oxan-4-yl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazole is CCOC(c1noc(-c2cc(C)no2)n1)C1CCOCC1.
What is the InChIKey of 3-[ethoxy(oxan-4-yl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is GPTSGFLAVXKVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-3-19-12(10-4-6-18-7-5-10)13-15-14(21-17-13)11-8-9(2)16-20-11/h8,10,12H,3-7H2,1-2H3.
What are the key properties of 3-[ethoxy(oxan-4-yl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazole?
3-[ethoxy(oxan-4-yl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 293.32 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethoxy(oxan-4-yl)methyl]-5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 136572097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).