6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine

C15H17ClN4O2 — CID 127470154

IUPAC6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
SMILESCN1CCOC2CN(c3nc(-c4cccc(Cl)c4)no3)CC21
InChIInChI=1S/C15H17ClN4O2/c1-19-5-6-21-13-9-20(8-12(13)19)15-17-14(18-22-15)10-3-2-4-11(16)7-10/h2-4,7,12-13H,5-6,8-9H2,1H3
InChIKeyFFGQTJCINQBXCQ-UHFFFAOYSA-N
MW320.78 g/mol
LogP1.91
Rot. Bonds2

About 6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine

6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine (PubChem CID 127470154) has the molecular formula C15H17ClN4O2 and a molecular weight of 320.78 g/mol. Its IUPAC name is 6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine.

Molecular Properties

Compound Name6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
PubChem CID127470154
Molecular FormulaC15H17ClN4O2
Molecular Weight320.78 g/mol
Exact Mass320.10
IUPAC Name6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
SMILESCN1CCOC2CN(c3nc(-c4cccc(Cl)c4)no3)CC21
InChIInChI=1S/C15H17ClN4O2/c1-19-5-6-21-13-9-20(8-12(13)19)15-17-14(18-22-15)10-3-2-4-11(16)7-10/h2-4,7,12-13H,5-6,8-9H2,1H3
InChIKeyFFGQTJCINQBXCQ-UHFFFAOYSA-N
XLogP1.91
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine with MolForge

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Related Compounds

3-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-oxadiazole
CID 133282203
5-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-3-(3-chlorophenyl)-1,2,4-oxadiazole
CID 133323032
3-(3-chlorophenyl)-5-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1,2,4-oxadiazole
CID 133282480
3-(3-chlorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]-1,2,4-oxadiazol-5-amine
CID 133281000
[(4aS,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-[2-(3-chlorophenyl)-5-methyl-1H-imidazol-4-yl]methanone
CID 126803348
3-[[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-methylamino]propan-1-ol
CID 133315358
3-(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-amine
CID 165350684
(4aS,7aR)-4-methyl-6-(3-pyrrolidin-1-ylquinoxalin-2-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 97250138
(4aR,7aR)-4-methyl-6-(3-pyrrolidin-1-ylquinoxalin-2-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 100904923
3-(3-chlorophenyl)-5-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1,2,4-oxadiazole
CID 133281508
2-[[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methyl]quinazolin-4-amine
CID 133333645
2-[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 128961180

Frequently Asked Questions

What is the IUPAC name of 6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine?
The IUPAC name of 6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine (CID 127470154) is 6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine.
What is the SMILES notation for 6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine?
The canonical SMILES for 6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine is CN1CCOC2CN(c3nc(-c4cccc(Cl)c4)no3)CC21.
What is the InChIKey of 6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine?
The InChIKey is FFGQTJCINQBXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2/c1-19-5-6-21-13-9-20(8-12(13)19)15-17-14(18-22-15)10-3-2-4-11(16)7-10/h2-4,7,12-13H,5-6,8-9H2,1H3.
What are the key properties of 6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine?
6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine has a molecular weight of 320.78 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine is sourced from PubChem (CID 127470154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).