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

C17H23N3O3 — CID 122494401

IUPACtert-butyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-ylmethyl)-N-methylcarbamate
SMILESCN(CC1OCCn2nc3ccccc3c21)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
InChIKeyPJSHHOSKOCNWNP-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.97
Rot. Bonds2

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

tert-butyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-ylmethyl)-N-methylcarbamate (PubChem CID 122494401) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is tert-butyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-ylmethyl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-ylmethyl)-N-methylcarbamate
PubChem CID122494401
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Nametert-butyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-ylmethyl)-N-methylcarbamate
SMILESCN(CC1OCCn2nc3ccccc3c21)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
InChIKeyPJSHHOSKOCNWNP-UHFFFAOYSA-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

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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)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-ylmethyl)-N-methylcarbamate (CID 122494401) is tert-butyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-ylmethyl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-ylmethyl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-ylmethyl)-N-methylcarbamate is CN(CC1OCCn2nc3ccccc3c21)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-ylmethyl)-N-methylcarbamate?
The InChIKey is PJSHHOSKOCNWNP-UHFFFAOYSA-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.
What are the key properties of tert-butyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-ylmethyl)-N-methylcarbamate?
tert-butyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-ylmethyl)-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-(3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-ylmethyl)-N-methylcarbamate is sourced from PubChem (CID 122494401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).