6-methyl-1-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine

C16H20N4O3 — CID 75504480

IUPAC6-methyl-1-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine
SMILESCc1ccc2c(n1)OCCN2Cc1noc(C2CCOCC2)n1
InChIInChI=1S/C16H20N4O3/c1-11-2-3-13-16(17-11)22-9-6-20(13)10-14-18-15(23-19-14)12-4-7-21-8-5-12/h2-3,12H,4-10H2,1H3
InChIKeyWUFDCEULLNHIKJ-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.07
Rot. Bonds3

About 6-methyl-1-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine

6-methyl-1-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine (PubChem CID 75504480) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 6-methyl-1-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine.

Molecular Properties

Compound Name6-methyl-1-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine
PubChem CID75504480
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name6-methyl-1-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine
SMILESCc1ccc2c(n1)OCCN2Cc1noc(C2CCOCC2)n1
InChIInChI=1S/C16H20N4O3/c1-11-2-3-13-16(17-11)22-9-6-20(13)10-14-18-15(23-19-14)12-4-7-21-8-5-12/h2-3,12H,4-10H2,1H3
InChIKeyWUFDCEULLNHIKJ-UHFFFAOYSA-N
XLogP2.07
TPSA73.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 62905897
4-[3-(2,3-dihydroindol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpiperidine-1-carboxamide
CID 71853426
1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-one
CID 115077121
1,1,3-trimethyl-3-[1-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]urea
CID 166601372
3-[(4-methylsulfanylphenyl)methylsulfanylmethyl]-5-(oxan-4-yl)-1,2,4-oxadiazole
CID 122145360
5-(oxan-4-yl)-3-[[(2S)-oxan-2-yl]methyl]-1,2,4-oxadiazole
CID 100676834
5-(oxan-4-yl)-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 138999515
N-hydroxy-1'-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide
CID 134459694
(2S)-4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine
CID 95276284
1-(2-methylphenyl)-N-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 84596270
[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]methanol
CID 62372084
2-[4-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-N-propan-2-ylpropanamide
CID 163344677

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine?
The IUPAC name of 6-methyl-1-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine (CID 75504480) is 6-methyl-1-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine.
What is the SMILES notation for 6-methyl-1-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine?
The canonical SMILES for 6-methyl-1-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine is Cc1ccc2c(n1)OCCN2Cc1noc(C2CCOCC2)n1.
What is the InChIKey of 6-methyl-1-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine?
The InChIKey is WUFDCEULLNHIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-11-2-3-13-16(17-11)22-9-6-20(13)10-14-18-15(23-19-14)12-4-7-21-8-5-12/h2-3,12H,4-10H2,1H3.
What are the key properties of 6-methyl-1-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine?
6-methyl-1-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine has a molecular weight of 316.36 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine is sourced from PubChem (CID 75504480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).