tert-butyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-ylmethyl)carbamate

C16H21N3O3 — CID 122494373

IUPACtert-butyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCC1OCCn2nc3ccccc3c21
InChIInChI=1S/C16H21N3O3/c1-16(2,3)22-15(20)17-10-13-14-11-6-4-5-7-12(11)18-19(14)8-9-21-13/h4-7,13H,8-10H2,1-3H3,(H,17,20)
InChIKeySSZLEYWTFVGKLH-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.63
Rot. Bonds2

About tert-butyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-ylmethyl)carbamate

tert-butyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-ylmethyl)carbamate (PubChem CID 122494373) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is tert-butyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-ylmethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-ylmethyl)carbamate
PubChem CID122494373
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Nametert-butyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCC1OCCn2nc3ccccc3c21
InChIInChI=1S/C16H21N3O3/c1-16(2,3)22-15(20)17-10-13-14-11-6-4-5-7-12(11)18-19(14)8-9-21-13/h4-7,13H,8-10H2,1-3H3,(H,17,20)
InChIKeySSZLEYWTFVGKLH-UHFFFAOYSA-N
XLogP2.63
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-ylmethyl)carbamate?
The IUPAC name of tert-butyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-ylmethyl)carbamate (CID 122494373) is tert-butyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-ylmethyl)carbamate.
What is the SMILES notation for tert-butyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-ylmethyl)carbamate?
The canonical SMILES for tert-butyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-ylmethyl)carbamate is CC(C)(C)OC(=O)NCC1OCCn2nc3ccccc3c21.
What is the InChIKey of tert-butyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-ylmethyl)carbamate?
The InChIKey is SSZLEYWTFVGKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-16(2,3)22-15(20)17-10-13-14-11-6-4-5-7-12(11)18-19(14)8-9-21-13/h4-7,13H,8-10H2,1-3H3,(H,17,20).
What are the key properties of tert-butyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-ylmethyl)carbamate?
tert-butyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-ylmethyl)carbamate has a molecular weight of 303.36 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-ylmethyl)carbamate is sourced from PubChem (CID 122494373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).