3-(1-hydroxyethyl)-6-propan-2-yl-3,4-dihydro-2H-1,4-oxazocine-5,8-dione

C11H17NO4 — CID 163182640

IUPAC3-(1-hydroxyethyl)-6-propan-2-yl-3,4-dihydro-2H-1,4-oxazocine-5,8-dione
SMILESCC(C)C1=CC(=O)OCC(C(C)O)NC1=O
InChIInChI=1S/C11H17NO4/c1-6(2)8-4-10(14)16-5-9(7(3)13)12-11(8)15/h4,6-7,9,13H,5H2,1-3H3,(H,12,15)
InChIKeyZSRVQTXPBRBQQY-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.01
Rot. Bonds2

About 3-(1-hydroxyethyl)-6-propan-2-yl-3,4-dihydro-2H-1,4-oxazocine-5,8-dione

3-(1-hydroxyethyl)-6-propan-2-yl-3,4-dihydro-2H-1,4-oxazocine-5,8-dione (PubChem CID 163182640) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 3-(1-hydroxyethyl)-6-propan-2-yl-3,4-dihydro-2H-1,4-oxazocine-5,8-dione.

Molecular Properties

Compound Name3-(1-hydroxyethyl)-6-propan-2-yl-3,4-dihydro-2H-1,4-oxazocine-5,8-dione
PubChem CID163182640
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name3-(1-hydroxyethyl)-6-propan-2-yl-3,4-dihydro-2H-1,4-oxazocine-5,8-dione
SMILESCC(C)C1=CC(=O)OCC(C(C)O)NC1=O
InChIInChI=1S/C11H17NO4/c1-6(2)8-4-10(14)16-5-9(7(3)13)12-11(8)15/h4,6-7,9,13H,5H2,1-3H3,(H,12,15)
InChIKeyZSRVQTXPBRBQQY-UHFFFAOYSA-N
XLogP-0.01
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(1-hydroxyethyl)-6-propan-2-yl-3,4-dihydro-2H-1,4-oxazocine-5,8-dione with MolForge

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Related Compounds

(6Z)-3-(1-hydroxyethyl)-6-propan-2-yl-3,4-dihydro-2H-1,4-oxazocine-5,8-dione
CID 146683461
(3S)-3-[(1S)-1-hydroxyethyl]-9-nitro-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 139581336
(4S)-4-[(1S,2R)-1,2-dihydroxy-3-methylbutyl]-1,3-oxazolidin-2-one
CID 130978098
ethane;4-propan-2-yl-1,3-oxazolidin-2-one
CID 143133628
4-[(1R)-1-fluoroethyl]-1,3-oxazolidin-2-one
CID 139507497
5-(1-hydroxyethyl)pyrrolidin-2-one
CID 15129755
(3R)-3-hydroxy-4-methoxy-2,3-dihydropyran-6-one
CID 95224942
(5S,14S)-5,14-di(propan-2-yl)-3,16-dioxa-21,22-dithia-6,13-diazatricyclo[16.2.1.18,11]docosa-1(20),8,10,18-tetraene-2,7,12,17-tetrone
CID 11167500
(4R)-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 2734862
6,7,8-trihydroxy-1,5,6,7,8,8a-hexahydroisochromen-3-one
CID 19010986
3-(4-hydroxypentyl)-2H-furan-5-one
CID 175401766
(4R)-4-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one
CID 170782739

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxyethyl)-6-propan-2-yl-3,4-dihydro-2H-1,4-oxazocine-5,8-dione?
The IUPAC name of 3-(1-hydroxyethyl)-6-propan-2-yl-3,4-dihydro-2H-1,4-oxazocine-5,8-dione (CID 163182640) is 3-(1-hydroxyethyl)-6-propan-2-yl-3,4-dihydro-2H-1,4-oxazocine-5,8-dione.
What is the SMILES notation for 3-(1-hydroxyethyl)-6-propan-2-yl-3,4-dihydro-2H-1,4-oxazocine-5,8-dione?
The canonical SMILES for 3-(1-hydroxyethyl)-6-propan-2-yl-3,4-dihydro-2H-1,4-oxazocine-5,8-dione is CC(C)C1=CC(=O)OCC(C(C)O)NC1=O.
What is the InChIKey of 3-(1-hydroxyethyl)-6-propan-2-yl-3,4-dihydro-2H-1,4-oxazocine-5,8-dione?
The InChIKey is ZSRVQTXPBRBQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-6(2)8-4-10(14)16-5-9(7(3)13)12-11(8)15/h4,6-7,9,13H,5H2,1-3H3,(H,12,15).
What are the key properties of 3-(1-hydroxyethyl)-6-propan-2-yl-3,4-dihydro-2H-1,4-oxazocine-5,8-dione?
3-(1-hydroxyethyl)-6-propan-2-yl-3,4-dihydro-2H-1,4-oxazocine-5,8-dione has a molecular weight of 227.26 g/mol, XLogP of -0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxyethyl)-6-propan-2-yl-3,4-dihydro-2H-1,4-oxazocine-5,8-dione is sourced from PubChem (CID 163182640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).