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

C18H25N3O3 — CID 122537079

IUPACtert-butyl N-[(1R)-1-[(1R)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]ethyl]-N-methylcarbamate
SMILESC[C@H]([C@H]1OCCn2nc3ccccc3c21)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C18H25N3O3/c1-12(20(5)17(22)24-18(2,3)4)16-15-13-8-6-7-9-14(13)19-21(15)10-11-23-16/h6-9,12,16H,10-11H2,1-5H3/t12-,16-/m1/s1
InChIKeyNLHLWUCQAYKTPO-MLGOLLRUSA-N
MW331.42 g/mol
LogP3.36
Rot. Bonds2

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

tert-butyl N-[(1R)-1-[(1R)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]ethyl]-N-methylcarbamate (PubChem CID 122537079) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-[(1R)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1-[(1R)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]ethyl]-N-methylcarbamate
PubChem CID122537079
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Nametert-butyl N-[(1R)-1-[(1R)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]ethyl]-N-methylcarbamate
SMILESC[C@H]([C@H]1OCCn2nc3ccccc3c21)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C18H25N3O3/c1-12(20(5)17(22)24-18(2,3)4)16-15-13-8-6-7-9-14(13)19-21(15)10-11-23-16/h6-9,12,16H,10-11H2,1-5H3/t12-,16-/m1/s1
InChIKeyNLHLWUCQAYKTPO-MLGOLLRUSA-N
XLogP3.36
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bindarit
CID 71354
5-(1-methylindazol-3-yl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide
CID 162644861
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
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-methyl-5-[[(3S)-3-[(2-methylphenyl)methoxy]piperidin-1-yl]methyl]indazole
CID 171348668
1-methyl-3-(morpholin-2-yl)-1H-indazole hydrochloride
CID 154852944
3-[But-3-enoxy(difluoro)methyl]-1-methylindazole
CID 176426587

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-[(1R)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(1R)-1-[(1R)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]ethyl]-N-methylcarbamate (CID 122537079) is tert-butyl N-[(1R)-1-[(1R)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(1R)-1-[(1R)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(1R)-1-[(1R)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]ethyl]-N-methylcarbamate is C[C@H]([C@H]1OCCn2nc3ccccc3c21)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(1R)-1-[(1R)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]ethyl]-N-methylcarbamate?
The InChIKey is NLHLWUCQAYKTPO-MLGOLLRUSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-12(20(5)17(22)24-18(2,3)4)16-15-13-8-6-7-9-14(13)19-21(15)10-11-23-16/h6-9,12,16H,10-11H2,1-5H3/t12-,16-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-1-[(1R)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]ethyl]-N-methylcarbamate?
tert-butyl N-[(1R)-1-[(1R)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]ethyl]-N-methylcarbamate has a molecular weight of 331.42 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-1-[(1R)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]ethyl]-N-methylcarbamate is sourced from PubChem (CID 122537079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).