(1S)-1-[(3S)-4-methylmorpholin-3-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole

C15H19N3O2 — CID 122458295

IUPAC(1S)-1-[(3S)-4-methylmorpholin-3-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole
SMILESCN1CCOC[C@H]1[C@@H]1OCCn2nc3ccccc3c21
InChIInChI=1S/C15H19N3O2/c1-17-6-8-19-10-13(17)15-14-11-4-2-3-5-12(11)16-18(14)7-9-20-15/h2-5,13,15H,6-10H2,1H3/t13-,15-/m0/s1
InChIKeyHFWIJAODDBEPIG-ZFWWWQNUSA-N
MW273.34 g/mol
LogP1.44
Rot. Bonds1

About (1S)-1-[(3S)-4-methylmorpholin-3-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole

(1S)-1-[(3S)-4-methylmorpholin-3-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole (PubChem CID 122458295) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is (1S)-1-[(3S)-4-methylmorpholin-3-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole.

Molecular Properties

Compound Name(1S)-1-[(3S)-4-methylmorpholin-3-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole
PubChem CID122458295
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name(1S)-1-[(3S)-4-methylmorpholin-3-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole
SMILESCN1CCOC[C@H]1[C@@H]1OCCn2nc3ccccc3c21
InChIInChI=1S/C15H19N3O2/c1-17-6-8-19-10-13(17)15-14-11-4-2-3-5-12(11)16-18(14)7-9-20-15/h2-5,13,15H,6-10H2,1H3/t13-,15-/m0/s1
InChIKeyHFWIJAODDBEPIG-ZFWWWQNUSA-N
XLogP1.44
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(3S)-4-methylmorpholin-3-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole?
The IUPAC name of (1S)-1-[(3S)-4-methylmorpholin-3-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole (CID 122458295) is (1S)-1-[(3S)-4-methylmorpholin-3-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole.
What is the SMILES notation for (1S)-1-[(3S)-4-methylmorpholin-3-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole?
The canonical SMILES for (1S)-1-[(3S)-4-methylmorpholin-3-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole is CN1CCOC[C@H]1[C@@H]1OCCn2nc3ccccc3c21.
What is the InChIKey of (1S)-1-[(3S)-4-methylmorpholin-3-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole?
The InChIKey is HFWIJAODDBEPIG-ZFWWWQNUSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-17-6-8-19-10-13(17)15-14-11-4-2-3-5-12(11)16-18(14)7-9-20-15/h2-5,13,15H,6-10H2,1H3/t13-,15-/m0/s1.
What are the key properties of (1S)-1-[(3S)-4-methylmorpholin-3-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole?
(1S)-1-[(3S)-4-methylmorpholin-3-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole has a molecular weight of 273.34 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(3S)-4-methylmorpholin-3-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole is sourced from PubChem (CID 122458295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).