tert-butyl (3S)-3-[(1R)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]morpholine-4-carboxylate

C19H25N3O4 — CID 122494423

IUPACtert-butyl (3S)-3-[(1R)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC[C@H]1[C@H]1OCCn2nc3ccccc3c21
InChIInChI=1S/C19H25N3O4/c1-19(2,3)26-18(23)21-8-10-24-12-15(21)17-16-13-6-4-5-7-14(13)20-22(16)9-11-25-17/h4-7,15,17H,8-12H2,1-3H3/t15-,17+/m0/s1
InChIKeyXCNVQODXKPZPQB-DOTOQJQBSA-N
MW359.43 g/mol
LogP2.74
Rot. Bonds1

About tert-butyl (3S)-3-[(1R)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]morpholine-4-carboxylate

tert-butyl (3S)-3-[(1R)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]morpholine-4-carboxylate (PubChem CID 122494423) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is tert-butyl (3S)-3-[(1R)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-[(1R)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]morpholine-4-carboxylate
PubChem CID122494423
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Nametert-butyl (3S)-3-[(1R)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC[C@H]1[C@H]1OCCn2nc3ccccc3c21
InChIInChI=1S/C19H25N3O4/c1-19(2,3)26-18(23)21-8-10-24-12-15(21)17-16-13-6-4-5-7-14(13)20-22(16)9-11-25-17/h4-7,15,17H,8-12H2,1-3H3/t15-,17+/m0/s1
InChIKeyXCNVQODXKPZPQB-DOTOQJQBSA-N
XLogP2.74
TPSA65.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-[(1R)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl (3S)-3-[(1R)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]morpholine-4-carboxylate (CID 122494423) is tert-butyl (3S)-3-[(1R)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-[(1R)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-[(1R)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOC[C@H]1[C@H]1OCCn2nc3ccccc3c21.
What is the InChIKey of tert-butyl (3S)-3-[(1R)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]morpholine-4-carboxylate?
The InChIKey is XCNVQODXKPZPQB-DOTOQJQBSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-19(2,3)26-18(23)21-8-10-24-12-15(21)17-16-13-6-4-5-7-14(13)20-22(16)9-11-25-17/h4-7,15,17H,8-12H2,1-3H3/t15-,17+/m0/s1.
What are the key properties of tert-butyl (3S)-3-[(1R)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]morpholine-4-carboxylate?
tert-butyl (3S)-3-[(1R)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]morpholine-4-carboxylate has a molecular weight of 359.43 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-[(1R)-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl]morpholine-4-carboxylate is sourced from PubChem (CID 122494423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).