(3R,3aS)-3-(hydroxymethyl)-7-(7-oxo-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one

C18H20N2O7 — CID 90295519

IUPAC(3R,3aS)-3-(hydroxymethyl)-7-(7-oxo-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one
SMILESO=C1CC2(CCN1c1ccc3c(c1)OC[C@H]1[C@H](CO)OC(=O)N31)OCCO2
InChIInChI=1S/C18H20N2O7/c21-9-15-13-10-24-14-7-11(1-2-12(14)20(13)17(23)27-15)19-4-3-18(8-16(19)22)25-5-6-26-18/h1-2,7,13,15,21H,3-6,8-10H2/t13-,15-/m0/s1
InChIKeyRXJGRILUSSVHSH-ZFWWWQNUSA-N
MW376.37 g/mol
LogP0.63
Rot. Bonds2

About (3R,3aS)-3-(hydroxymethyl)-7-(7-oxo-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one

(3R,3aS)-3-(hydroxymethyl)-7-(7-oxo-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one (PubChem CID 90295519) has the molecular formula C18H20N2O7 and a molecular weight of 376.37 g/mol. Its IUPAC name is (3R,3aS)-3-(hydroxymethyl)-7-(7-oxo-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one.

Molecular Properties

Compound Name(3R,3aS)-3-(hydroxymethyl)-7-(7-oxo-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one
PubChem CID90295519
Molecular FormulaC18H20N2O7
Molecular Weight376.37 g/mol
Exact Mass376.13
IUPAC Name(3R,3aS)-3-(hydroxymethyl)-7-(7-oxo-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one
SMILESO=C1CC2(CCN1c1ccc3c(c1)OC[C@H]1[C@H](CO)OC(=O)N31)OCCO2
InChIInChI=1S/C18H20N2O7/c21-9-15-13-10-24-14-7-11(1-2-12(14)20(13)17(23)27-15)19-4-3-18(8-16(19)22)25-5-6-26-18/h1-2,7,13,15,21H,3-6,8-10H2/t13-,15-/m0/s1
InChIKeyRXJGRILUSSVHSH-ZFWWWQNUSA-N
XLogP0.63
TPSA97.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3R,3aS)-3-(hydroxymethyl)-7-(7-oxo-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R,3aS)-3-(hydroxymethyl)-7-(7-oxo-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one?
The IUPAC name of (3R,3aS)-3-(hydroxymethyl)-7-(7-oxo-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one (CID 90295519) is (3R,3aS)-3-(hydroxymethyl)-7-(7-oxo-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one.
What is the SMILES notation for (3R,3aS)-3-(hydroxymethyl)-7-(7-oxo-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one?
The canonical SMILES for (3R,3aS)-3-(hydroxymethyl)-7-(7-oxo-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one is O=C1CC2(CCN1c1ccc3c(c1)OC[C@H]1[C@H](CO)OC(=O)N31)OCCO2.
What is the InChIKey of (3R,3aS)-3-(hydroxymethyl)-7-(7-oxo-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one?
The InChIKey is RXJGRILUSSVHSH-ZFWWWQNUSA-N. The full InChI is InChI=1S/C18H20N2O7/c21-9-15-13-10-24-14-7-11(1-2-12(14)20(13)17(23)27-15)19-4-3-18(8-16(19)22)25-5-6-26-18/h1-2,7,13,15,21H,3-6,8-10H2/t13-,15-/m0/s1.
What are the key properties of (3R,3aS)-3-(hydroxymethyl)-7-(7-oxo-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one?
(3R,3aS)-3-(hydroxymethyl)-7-(7-oxo-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one has a molecular weight of 376.37 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aS)-3-(hydroxymethyl)-7-(7-oxo-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one is sourced from PubChem (CID 90295519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).