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

C17H18N2O3 — CID 126673585

IUPAC(3S,4R,5R)-3-amino-5-phenoxazin-10-yloxan-4-ol
SMILESN[C@H]1COC[C@@H](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-FABXCBLPSA-N
MW298.34 g/mol
LogP2.02
Rot. Bonds1

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

(3S,4R,5R)-3-amino-5-phenoxazin-10-yloxan-4-ol (PubChem CID 126673585) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is (3S,4R,5R)-3-amino-5-phenoxazin-10-yloxan-4-ol.

Molecular Properties

Compound Name(3S,4R,5R)-3-amino-5-phenoxazin-10-yloxan-4-ol
PubChem CID126673585
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name(3S,4R,5R)-3-amino-5-phenoxazin-10-yloxan-4-ol
SMILESN[C@H]1COC[C@@H](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-FABXCBLPSA-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,5R)-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

Related Compounds

(3S,4R)-3-amino-5-phenoxazin-10-yloxan-4-ol
CID 126693816
(3S,4S)-3-(iodoamino)-5-phenoxazin-10-yloxan-4-ol
CID 163491598
(3S,5S)-5-[2-(trifluoromethyl)phenoxazin-10-yl]oxane-3,4-diol
CID 145273709
(3S,4S)-3-phenoxazin-10-yloxan-4-ol
CID 149266160
4-amino-N-[(3R,4R,5S)-4-hydroxy-5-phenoxazin-10-yloxan-3-yl]benzenesulfonamide
CID 126673697
(4R,5S)-3-azido-5-[2-(trifluoromethyl)phenoxazin-10-yl]oxan-4-ol
CID 126694136
tert-butyl (3R,4S,5S)-3-amino-4-hydroxy-5-phenoxazin-10-ylpiperidine-1-carboxylate
CID 126694122
N-[(3S,4S,5R)-4-hydroxy-5-phenoxazin-10-yloxan-3-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 126673571
(3S,4S)-3-phenoxazin-10-yl-5-[[[4-(trifluoromethoxy)phenyl]sulfonimidoyl]iminomethyl]oxan-4-ol
CID 174034658
(3S,4S,5R)-3-[[N-methyl-S-[4-(trifluoromethoxy)phenyl]sulfonimidoyl]amino]-5-phenoxazin-10-yloxan-4-ol
CID 166592570
2-phenoxazin-10-yl-6-phenylmethoxycyclohexan-1-ol
CID 156714501
N-[(1S,2S)-2-hydroxy-3-phenoxazin-10-ylcyclohexyl]methanesulfonamide
CID 161459830

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R)-3-amino-5-phenoxazin-10-yloxan-4-ol?
The IUPAC name of (3S,4R,5R)-3-amino-5-phenoxazin-10-yloxan-4-ol (CID 126673585) is (3S,4R,5R)-3-amino-5-phenoxazin-10-yloxan-4-ol.
What is the SMILES notation for (3S,4R,5R)-3-amino-5-phenoxazin-10-yloxan-4-ol?
The canonical SMILES for (3S,4R,5R)-3-amino-5-phenoxazin-10-yloxan-4-ol is N[C@H]1COC[C@@H](N2c3ccccc3Oc3ccccc32)[C@@H]1O.
What is the InChIKey of (3S,4R,5R)-3-amino-5-phenoxazin-10-yloxan-4-ol?
The InChIKey is XBAMOKTZAXSFKS-FABXCBLPSA-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,5R)-3-amino-5-phenoxazin-10-yloxan-4-ol?
(3S,4R,5R)-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,5R)-3-amino-5-phenoxazin-10-yloxan-4-ol is sourced from PubChem (CID 126673585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).