6-[[4-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethyl]triazol-1-yl]methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine

C18H26N6O6 — CID 162407973

IUPAC6-[[4-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethyl]triazol-1-yl]methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
SMILESCO[C@@H]1O[C@H](COCc2cn(CC3Cn4nncc4CO3)nn2)[C@H]2OC(C)(C)O[C@@H]12
InChIInChI=1S/C18H26N6O6/c1-18(2)29-15-14(28-17(25-3)16(15)30-18)10-26-8-11-5-23(22-20-11)6-13-7-24-12(9-27-13)4-19-21-24/h4-5,13-17H,6-10H2,1-3H3/t13?,14-,15-,16-,17-/m1/s1
InChIKeyMAOQPUVRBQNBPQ-XRZUFTMXSA-N
MW422.44 g/mol
LogP-0.12
Rot. Bonds7

About 6-[[4-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethyl]triazol-1-yl]methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine

6-[[4-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethyl]triazol-1-yl]methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine (PubChem CID 162407973) has the molecular formula C18H26N6O6 and a molecular weight of 422.44 g/mol. Its IUPAC name is 6-[[4-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethyl]triazol-1-yl]methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine.

Molecular Properties

Compound Name6-[[4-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethyl]triazol-1-yl]methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
PubChem CID162407973
Molecular FormulaC18H26N6O6
Molecular Weight422.44 g/mol
Exact Mass422.19
IUPAC Name6-[[4-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethyl]triazol-1-yl]methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
SMILESCO[C@@H]1O[C@H](COCc2cn(CC3Cn4nncc4CO3)nn2)[C@H]2OC(C)(C)O[C@@H]12
InChIInChI=1S/C18H26N6O6/c1-18(2)29-15-14(28-17(25-3)16(15)30-18)10-26-8-11-5-23(22-20-11)6-13-7-24-12(9-27-13)4-19-21-24/h4-5,13-17H,6-10H2,1-3H3/t13?,14-,15-,16-,17-/m1/s1
InChIKeyMAOQPUVRBQNBPQ-XRZUFTMXSA-N
XLogP-0.12
TPSA116.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.44
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 6-[[4-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethyl]triazol-1-yl]methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine with MolForge

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Related Compounds

(6S)-6-[[4-[[(3aS,4S,6S,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethyl]triazol-1-yl]methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
CID 139093510
[1-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]triazol-4-yl]methyl acetate
CID 45379336
1-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl]-4-benzyltriazole
CID 24879356
(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-6-(phenylmethoxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
CID 22887291
(3R,5S,6R,7S)-5,6-dimethoxy-4,8-dioxa-1,12,13-triazatricyclo[8.3.0.03,7]trideca-10,12-diene
CID 134858120
(3aS,6R,6aR)-6-(chloromethyl)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
CID 70023469
6-methoxy-5-methyl-2-[[4-[2-[2-(3-methylbutoxy)ethoxy]ethoxymethyl]triazol-1-yl]methyl]oxane-3,4-diol
CID 122682447
(3aR,4R,6S,7R,7aS)-6-methoxy-2,2-dimethyl-4-(phenylmethoxymethyl)-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
CID 102531037
2-[[(3aS,4R,6R,7R,7aS)-7-[(4-methoxyphenyl)methoxy]-4-[(4-methoxyphenyl)methoxymethyl]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]ethyl-trimethylsilane
CID 25223673
1-[[36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecamethoxy-10,15,20,25,30,35-hexakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methyl]-4-[[4-[[1-[[36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecamethoxy-10,15,20,25,30,35-hexakis(methoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methyl]triazol-4-yl]methoxy]phenoxy]methyl]triazole
CID 177444596
(3aS,4R,6R,7R,7aS)-6-(4-methoxyphenoxy)-2,2-dimethyl-7-phenylmethoxy-4-(phenylmethoxymethyl)-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran
CID 126970029
(3aS,4R,6S,7R,7aS)-6-[(2R,3R,4S,5R,6R)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2,2-dimethyl-7-phenylmethoxy-4-(phenylmethoxymethyl)-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran
CID 11766072

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethyl]triazol-1-yl]methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine?
The IUPAC name of 6-[[4-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethyl]triazol-1-yl]methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine (CID 162407973) is 6-[[4-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethyl]triazol-1-yl]methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine.
What is the SMILES notation for 6-[[4-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethyl]triazol-1-yl]methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine?
The canonical SMILES for 6-[[4-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethyl]triazol-1-yl]methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine is CO[C@@H]1O[C@H](COCc2cn(CC3Cn4nncc4CO3)nn2)[C@H]2OC(C)(C)O[C@@H]12.
What is the InChIKey of 6-[[4-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethyl]triazol-1-yl]methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine?
The InChIKey is MAOQPUVRBQNBPQ-XRZUFTMXSA-N. The full InChI is InChI=1S/C18H26N6O6/c1-18(2)29-15-14(28-17(25-3)16(15)30-18)10-26-8-11-5-23(22-20-11)6-13-7-24-12(9-27-13)4-19-21-24/h4-5,13-17H,6-10H2,1-3H3/t13?,14-,15-,16-,17-/m1/s1.
What are the key properties of 6-[[4-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethyl]triazol-1-yl]methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine?
6-[[4-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethyl]triazol-1-yl]methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine has a molecular weight of 422.44 g/mol, XLogP of -0.12, 7 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethyl]triazol-1-yl]methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine is sourced from PubChem (CID 162407973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).