tert-butyl N-[[(1S)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methyl]-N-methylcarbamate

C17H23N3O3 — CID 122494399

IUPACtert-butyl N-[[(1S)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methyl]-N-methylcarbamate
SMILESCN(C[C@@H]1OCCn2nc3ccccc3c21)C(=O)OC(C)(C)C
InChIInChI=1S/C17H23N3O3/c1-17(2,3)23-16(21)19(4)11-14-15-12-7-5-6-8-13(12)18-20(15)9-10-22-14/h5-8,14H,9-11H2,1-4H3/t14-/m0/s1
InChIKeyPJSHHOSKOCNWNP-AWEZNQCLSA-N
MW317.39 g/mol
LogP2.97
Rot. Bonds2

About tert-butyl N-[[(1S)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methyl]-N-methylcarbamate

tert-butyl N-[[(1S)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methyl]-N-methylcarbamate (PubChem CID 122494399) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is tert-butyl N-[[(1S)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[(1S)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methyl]-N-methylcarbamate
PubChem CID122494399
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Nametert-butyl N-[[(1S)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methyl]-N-methylcarbamate
SMILESCN(C[C@@H]1OCCn2nc3ccccc3c21)C(=O)OC(C)(C)C
InChIInChI=1S/C17H23N3O3/c1-17(2,3)23-16(21)19(4)11-14-15-12-7-5-6-8-13(12)18-20(15)9-10-22-14/h5-8,14H,9-11H2,1-4H3/t14-/m0/s1
InChIKeyPJSHHOSKOCNWNP-AWEZNQCLSA-N
XLogP2.97
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[[(1S)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methyl]-N-methylcarbamate with MolForge

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Related Compounds

Bindarit
CID 71354
5-(1-methylindazol-3-yl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide
CID 162644861
1H-Pyrazole-1-ethanol, 3,5-dimethyl-alpha-phenyl-, 1-acetate
CID 658211
2-(4-Methylphenyl)-3-oxa-6,9,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(16),10,12,14-tetraene
CID 44144299
(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-methylindazole-3-carboxylate
CID 14788238
1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
CID 50832705
1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-methylpropan-1-one
CID 50832717
1-[3-[(2-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 50832730
3-{[(3-Fluorophenyl)methoxy]methyl}-1-methyl-N-(2-methylphenyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridine-5-carboxamide
CID 53018366
N-(2-ethylphenyl)-3-[(3-fluorophenyl)methoxymethyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53018374
[2-(1-Benzylindazol-3-yl)-4,5-dihydro-1,3-oxazol-5-yl]methanol
CID 57391889
1-[3-(1-Methyl-3-phenylpyrazol-5-yl)-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 155541892

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(1S)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[[(1S)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methyl]-N-methylcarbamate (CID 122494399) is tert-butyl N-[[(1S)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[[(1S)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[[(1S)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methyl]-N-methylcarbamate is CN(C[C@@H]1OCCn2nc3ccccc3c21)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[(1S)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methyl]-N-methylcarbamate?
The InChIKey is PJSHHOSKOCNWNP-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-17(2,3)23-16(21)19(4)11-14-15-12-7-5-6-8-13(12)18-20(15)9-10-22-14/h5-8,14H,9-11H2,1-4H3/t14-/m0/s1.
What are the key properties of tert-butyl N-[[(1S)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methyl]-N-methylcarbamate?
tert-butyl N-[[(1S)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methyl]-N-methylcarbamate has a molecular weight of 317.39 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(1S)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]methyl]-N-methylcarbamate is sourced from PubChem (CID 122494399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).