(3S,4R)-3-amino-5-phenoxazin-10-yloxan-4-ol

C17H18N2O3 — CID 126693816

IUPAC(3S,4R)-3-amino-5-phenoxazin-10-yloxan-4-ol
SMILESN[C@H]1COCC(N2c3ccccc3Oc3ccccc32)[C@@H]1O
InChIInChI=1S/C17H18N2O3/c18-11-9-21-10-14(17(11)20)19-12-5-1-3-7-15(12)22-16-8-4-2-6-13(16)19/h1-8,11,14,17,20H,9-10,18H2/t11-,14?,17+/m0/s1
InChIKeyXBAMOKTZAXSFKS-BLBWXKFCSA-N
MW298.34 g/mol
LogP2.02
Rot. Bonds1

About (3S,4R)-3-amino-5-phenoxazin-10-yloxan-4-ol

(3S,4R)-3-amino-5-phenoxazin-10-yloxan-4-ol (PubChem CID 126693816) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is (3S,4R)-3-amino-5-phenoxazin-10-yloxan-4-ol.

Molecular Properties

Compound Name(3S,4R)-3-amino-5-phenoxazin-10-yloxan-4-ol
PubChem CID126693816
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name(3S,4R)-3-amino-5-phenoxazin-10-yloxan-4-ol
SMILESN[C@H]1COCC(N2c3ccccc3Oc3ccccc32)[C@@H]1O
InChIInChI=1S/C17H18N2O3/c18-11-9-21-10-14(17(11)20)19-12-5-1-3-7-15(12)22-16-8-4-2-6-13(16)19/h1-8,11,14,17,20H,9-10,18H2/t11-,14?,17+/m0/s1
InChIKeyXBAMOKTZAXSFKS-BLBWXKFCSA-N
XLogP2.02
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S,4R)-3-amino-5-phenoxazin-10-yloxan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-amino-5-phenoxazin-10-yloxan-4-ol?
The IUPAC name of (3S,4R)-3-amino-5-phenoxazin-10-yloxan-4-ol (CID 126693816) is (3S,4R)-3-amino-5-phenoxazin-10-yloxan-4-ol.
What is the SMILES notation for (3S,4R)-3-amino-5-phenoxazin-10-yloxan-4-ol?
The canonical SMILES for (3S,4R)-3-amino-5-phenoxazin-10-yloxan-4-ol is N[C@H]1COCC(N2c3ccccc3Oc3ccccc32)[C@@H]1O.
What is the InChIKey of (3S,4R)-3-amino-5-phenoxazin-10-yloxan-4-ol?
The InChIKey is XBAMOKTZAXSFKS-BLBWXKFCSA-N. The full InChI is InChI=1S/C17H18N2O3/c18-11-9-21-10-14(17(11)20)19-12-5-1-3-7-15(12)22-16-8-4-2-6-13(16)19/h1-8,11,14,17,20H,9-10,18H2/t11-,14?,17+/m0/s1.
What are the key properties of (3S,4R)-3-amino-5-phenoxazin-10-yloxan-4-ol?
(3S,4R)-3-amino-5-phenoxazin-10-yloxan-4-ol has a molecular weight of 298.34 g/mol, XLogP of 2.02, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-amino-5-phenoxazin-10-yloxan-4-ol is sourced from PubChem (CID 126693816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).