tert-butyl N-[(9-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)methyl]carbamate

C16H20FN3O3 — CID 122494402

IUPACtert-butyl N-[(9-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1OCCn2nc3ccc(F)cc3c21
InChIInChI=1S/C16H20FN3O3/c1-16(2,3)23-15(21)18-9-13-14-11-8-10(17)4-5-12(11)19-20(14)6-7-22-13/h4-5,8,13H,6-7,9H2,1-3H3,(H,18,21)
InChIKeyBQQLCFHRYGKHPV-UHFFFAOYSA-N
MW321.35 g/mol
LogP2.77
Rot. Bonds2

About tert-butyl N-[(9-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)methyl]carbamate

tert-butyl N-[(9-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)methyl]carbamate (PubChem CID 122494402) has the molecular formula C16H20FN3O3 and a molecular weight of 321.35 g/mol. Its IUPAC name is tert-butyl N-[(9-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(9-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)methyl]carbamate
PubChem CID122494402
Molecular FormulaC16H20FN3O3
Molecular Weight321.35 g/mol
Exact Mass321.15
IUPAC Nametert-butyl N-[(9-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1OCCn2nc3ccc(F)cc3c21
InChIInChI=1S/C16H20FN3O3/c1-16(2,3)23-15(21)18-9-13-14-11-8-10(17)4-5-12(11)19-20(14)6-7-22-13/h4-5,8,13H,6-7,9H2,1-3H3,(H,18,21)
InChIKeyBQQLCFHRYGKHPV-UHFFFAOYSA-N
XLogP2.77
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(9-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)methyl]carbamate 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

5-(1-methylindazol-3-yl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide
CID 162644861
3-[(benzyloxy)methyl]-N-(2-fluorophenyl)-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53011674
3-[(Benzyloxy)methyl]-N-(3-fluorophenyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridine-5-carboxamide
CID 53018224
3-[(Benzyloxy)methyl]-N-(4-fluorophenyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridine-5-carboxamide
CID 53018232
3-[(Benzyloxy)methyl]-N-(3-fluoro-4-methylphenyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridine-5-carboxamide
CID 53018246
N-(2-Fluorophenyl)-1-methyl-3-{[(2-methylphenyl)methoxy]methyl}-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridine-5-carboxamide
CID 53018249
N-(3-Fluorophenyl)-3-{[(2-fluorophenyl)methoxy]methyl}-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridine-5-carboxamide
CID 53018253
3-{[(2-Fluorophenyl)methoxy]methyl}-1-methyl-N-phenyl-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridine-5-carboxamide
CID 53018255
N-(2,4-Difluorophenyl)-3-{[(2-fluorophenyl)methoxy]methyl}-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridine-5-carboxamide
CID 53018256
N-(4-Ethylphenyl)-3-{[(2-fluorophenyl)methoxy]methyl}-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridine-5-carboxamide
CID 53018259
3-{[(2-fluorobenzyl)oxy]methyl}-1-methyl-N-(3-methylphenyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
CID 53018262
N-(2,4-Dimethylphenyl)-3-{[(2-fluorophenyl)methoxy]methyl}-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridine-5-carboxamide
CID 53018263

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(9-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(9-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)methyl]carbamate (CID 122494402) is tert-butyl N-[(9-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(9-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(9-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)methyl]carbamate is CC(C)(C)OC(=O)NCC1OCCn2nc3ccc(F)cc3c21.
What is the InChIKey of tert-butyl N-[(9-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)methyl]carbamate?
The InChIKey is BQQLCFHRYGKHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O3/c1-16(2,3)23-15(21)18-9-13-14-11-8-10(17)4-5-12(11)19-20(14)6-7-22-13/h4-5,8,13H,6-7,9H2,1-3H3,(H,18,21).
What are the key properties of tert-butyl N-[(9-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)methyl]carbamate?
tert-butyl N-[(9-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)methyl]carbamate has a molecular weight of 321.35 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(9-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)methyl]carbamate is sourced from PubChem (CID 122494402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).