(1S)-1-[(2R)-4-methyloxan-2-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole chloride

C16H20ClN2O2- — CID 159831798

IUPAC(1S)-1-[(2R)-4-methyloxan-2-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole chloride
SMILESCC1CCO[C@@H]([C@H]2OCCn3nc4ccccc4c32)C1.[Cl-]
InChIInChI=1S/C16H20N2O2.ClH/c1-11-6-8-19-14(10-11)16-15-12-4-2-3-5-13(12)17-18(15)7-9-20-16;/h2-5,11,14,16H,6-10H2,1H3;1H/p-1/t11?,14-,16-;/m1./s1
InChIKeyQGWNXWICMKSCDK-FVOLIULHSA-M
MW307.80 g/mol
LogP-0.07
Rot. Bonds1

About (1S)-1-[(2R)-4-methyloxan-2-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole chloride

(1S)-1-[(2R)-4-methyloxan-2-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole chloride (PubChem CID 159831798) has the molecular formula C16H20ClN2O2- and a molecular weight of 307.80 g/mol. Its IUPAC name is (1S)-1-[(2R)-4-methyloxan-2-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole chloride.

Molecular Properties

Compound Name(1S)-1-[(2R)-4-methyloxan-2-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole chloride
PubChem CID159831798
Molecular FormulaC16H20ClN2O2-
Molecular Weight307.80 g/mol
Exact Mass307.12
IUPAC Name(1S)-1-[(2R)-4-methyloxan-2-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole chloride
SMILESCC1CCO[C@@H]([C@H]2OCCn3nc4ccccc4c32)C1.[Cl-]
InChIInChI=1S/C16H20N2O2.ClH/c1-11-6-8-19-14(10-11)16-15-12-4-2-3-5-13(12)17-18(15)7-9-20-16;/h2-5,11,14,16H,6-10H2,1H3;1H/p-1/t11?,14-,16-;/m1./s1
InChIKeyQGWNXWICMKSCDK-FVOLIULHSA-M
XLogP-0.07
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2R)-4-methyloxan-2-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole chloride?
The IUPAC name of (1S)-1-[(2R)-4-methyloxan-2-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole chloride (CID 159831798) is (1S)-1-[(2R)-4-methyloxan-2-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole chloride.
What is the SMILES notation for (1S)-1-[(2R)-4-methyloxan-2-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole chloride?
The canonical SMILES for (1S)-1-[(2R)-4-methyloxan-2-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole chloride is CC1CCO[C@@H]([C@H]2OCCn3nc4ccccc4c32)C1.[Cl-].
What is the InChIKey of (1S)-1-[(2R)-4-methyloxan-2-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole chloride?
The InChIKey is QGWNXWICMKSCDK-FVOLIULHSA-M. The full InChI is InChI=1S/C16H20N2O2.ClH/c1-11-6-8-19-14(10-11)16-15-12-4-2-3-5-13(12)17-18(15)7-9-20-16;/h2-5,11,14,16H,6-10H2,1H3;1H/p-1/t11?,14-,16-;/m1./s1.
What are the key properties of (1S)-1-[(2R)-4-methyloxan-2-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole chloride?
(1S)-1-[(2R)-4-methyloxan-2-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole chloride has a molecular weight of 307.80 g/mol, XLogP of -0.07, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2R)-4-methyloxan-2-yl]-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazole chloride is sourced from PubChem (CID 159831798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).