(1S,9R,11R)-11-(2-oxo-1,3-oxazolidine-3-carbonyl)-12-oxa-7-azatricyclo[7.2.1.01,7]dodecan-8-one

C14H18N2O5 — CID 72724683

IUPAC(1S,9R,11R)-11-(2-oxo-1,3-oxazolidine-3-carbonyl)-12-oxa-7-azatricyclo[7.2.1.01,7]dodecan-8-one
SMILESO=C1OCCN1C(=O)[C@@H]1C[C@H]2O[C@@]13CCCCCN3C2=O
InChIInChI=1S/C14H18N2O5/c17-11(15-6-7-20-13(15)19)9-8-10-12(18)16-5-3-1-2-4-14(9,16)21-10/h9-10H,1-8H2/t9-,10+,14-/m0/s1
InChIKeyNHXZFSYQIDZAES-RBZYPMLTSA-N
MW294.31 g/mol
LogP0.48
Rot. Bonds1

About (1S,9R,11R)-11-(2-oxo-1,3-oxazolidine-3-carbonyl)-12-oxa-7-azatricyclo[7.2.1.01,7]dodecan-8-one

(1S,9R,11R)-11-(2-oxo-1,3-oxazolidine-3-carbonyl)-12-oxa-7-azatricyclo[7.2.1.01,7]dodecan-8-one (PubChem CID 72724683) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is (1S,9R,11R)-11-(2-oxo-1,3-oxazolidine-3-carbonyl)-12-oxa-7-azatricyclo[7.2.1.01,7]dodecan-8-one.

Molecular Properties

Compound Name(1S,9R,11R)-11-(2-oxo-1,3-oxazolidine-3-carbonyl)-12-oxa-7-azatricyclo[7.2.1.01,7]dodecan-8-one
PubChem CID72724683
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name(1S,9R,11R)-11-(2-oxo-1,3-oxazolidine-3-carbonyl)-12-oxa-7-azatricyclo[7.2.1.01,7]dodecan-8-one
SMILESO=C1OCCN1C(=O)[C@@H]1C[C@H]2O[C@@]13CCCCCN3C2=O
InChIInChI=1S/C14H18N2O5/c17-11(15-6-7-20-13(15)19)9-8-10-12(18)16-5-3-1-2-4-14(9,16)21-10/h9-10H,1-8H2/t9-,10+,14-/m0/s1
InChIKeyNHXZFSYQIDZAES-RBZYPMLTSA-N
XLogP0.48
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1S,9R,11R)-11-(2-oxo-1,3-oxazolidine-3-carbonyl)-12-oxa-7-azatricyclo[7.2.1.01,7]dodecan-8-one with MolForge

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Related Compounds

3-(2,2-dimethylcyclopentanecarbonyl)-1,3-oxazolidin-2-one
CID 122225985
3-[2,2-bis(methylsulfanyl)cyclobutanecarbonyl]-1,3-oxazolidin-2-one
CID 14862236
3-[(1S,2S)-2-phenylcyclopropanecarbonyl]-1,3-oxazolidin-2-one
CID 101132286
3-[(1R)-3-methylidenecycloheptanecarbonyl]-1,3-oxazolidin-2-one
CID 135006980
3-(adamantane-1-carbonyl)-1,3-oxazolidin-2-one
CID 11470685
3-[(2R,3R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]aziridine-2-carbonyl]-1,3-oxazolidin-2-one
CID 11821202
3-(3-cyclohexylprop-2-enoyl)-1,3-oxazolidin-2-one
CID 175084224
1-[(2-oxo-1,3-oxazolidin-3-yl)methyl]cyclopentane-1-carboxylic acid
CID 115433705
(3aS,9aR,9bS)-2,2-dimethyl-4-oxo-3a,6,7,8,9,9b-hexahydro-[1,3]dioxolo[4,5-a]indolizine-9a-carbonyl chloride
CID 11780716
cis-methyl (1R,2S)-3-oxo-2-(2-oxo-1,3-oxazolidine-3-carbonyl)cyclobutane-1-carboxylate
CID 134922721
3-[(1R,2S,3R,4S)-3-phenylbicyclo[2.2.1]hept-5-ene-2-carbonyl]-1,3-oxazolidin-2-one
CID 51346284
3-(2-cyclohexylideneacetyl)-1,3-oxazolidin-2-one
CID 72942720

Frequently Asked Questions

What is the IUPAC name of (1S,9R,11R)-11-(2-oxo-1,3-oxazolidine-3-carbonyl)-12-oxa-7-azatricyclo[7.2.1.01,7]dodecan-8-one?
The IUPAC name of (1S,9R,11R)-11-(2-oxo-1,3-oxazolidine-3-carbonyl)-12-oxa-7-azatricyclo[7.2.1.01,7]dodecan-8-one (CID 72724683) is (1S,9R,11R)-11-(2-oxo-1,3-oxazolidine-3-carbonyl)-12-oxa-7-azatricyclo[7.2.1.01,7]dodecan-8-one.
What is the SMILES notation for (1S,9R,11R)-11-(2-oxo-1,3-oxazolidine-3-carbonyl)-12-oxa-7-azatricyclo[7.2.1.01,7]dodecan-8-one?
The canonical SMILES for (1S,9R,11R)-11-(2-oxo-1,3-oxazolidine-3-carbonyl)-12-oxa-7-azatricyclo[7.2.1.01,7]dodecan-8-one is O=C1OCCN1C(=O)[C@@H]1C[C@H]2O[C@@]13CCCCCN3C2=O.
What is the InChIKey of (1S,9R,11R)-11-(2-oxo-1,3-oxazolidine-3-carbonyl)-12-oxa-7-azatricyclo[7.2.1.01,7]dodecan-8-one?
The InChIKey is NHXZFSYQIDZAES-RBZYPMLTSA-N. The full InChI is InChI=1S/C14H18N2O5/c17-11(15-6-7-20-13(15)19)9-8-10-12(18)16-5-3-1-2-4-14(9,16)21-10/h9-10H,1-8H2/t9-,10+,14-/m0/s1.
What are the key properties of (1S,9R,11R)-11-(2-oxo-1,3-oxazolidine-3-carbonyl)-12-oxa-7-azatricyclo[7.2.1.01,7]dodecan-8-one?
(1S,9R,11R)-11-(2-oxo-1,3-oxazolidine-3-carbonyl)-12-oxa-7-azatricyclo[7.2.1.01,7]dodecan-8-one has a molecular weight of 294.31 g/mol, XLogP of 0.48, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,9R,11R)-11-(2-oxo-1,3-oxazolidine-3-carbonyl)-12-oxa-7-azatricyclo[7.2.1.01,7]dodecan-8-one is sourced from PubChem (CID 72724683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).