bis(1,3-oxazolidin-5-yl)methanone

C7H12N2O3 — CID 174600635

IUPACbis(1,3-oxazolidin-5-yl)methanone
SMILESO=C(C1CNCO1)C1CNCO1
InChIInChI=1S/C7H12N2O3/c10-7(5-1-8-3-11-5)6-2-9-4-12-6/h5-6,8-9H,1-4H2
InChIKeyXOJUENSHBYKHEQ-UHFFFAOYSA-N
MW172.18 g/mol
LogP-1.55
Rot. Bonds2

About bis(1,3-oxazolidin-5-yl)methanone

bis(1,3-oxazolidin-5-yl)methanone (PubChem CID 174600635) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is bis(1,3-oxazolidin-5-yl)methanone.

Molecular Properties

Compound Namebis(1,3-oxazolidin-5-yl)methanone
PubChem CID174600635
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Namebis(1,3-oxazolidin-5-yl)methanone
SMILESO=C(C1CNCO1)C1CNCO1
InChIInChI=1S/C7H12N2O3/c10-7(5-1-8-3-11-5)6-2-9-4-12-6/h5-6,8-9H,1-4H2
InChIKeyXOJUENSHBYKHEQ-UHFFFAOYSA-N
XLogP-1.55
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-1.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-oxazolidine-5-carboxamide;hydrochloride
CID 162310916
3-(1,3-oxazolidin-5-yl)-2,3-dioxopropanal
CID 174956648
N-methyl-2-(1,3-oxazolidin-5-yl)-2-oxoacetamide
CID 68541946
(2R)-morpholine-2-carboxamide
CID 51600069
N-methyl-N-(1,3-oxazolidin-5-yl)-2-oxoacetamide
CID 87490559
ethane;1-morpholin-2-ylethanone
CID 143224838
ethane;morpholine-2-carboxylic acid
CID 170608685
2-morpholin-2-yl-2-oxoacetaldehyde
CID 19972079
di(imidazolidin-4-yl)methanone
CID 174675876
2-morpholin-2-ylprop-2-enoic acid
CID 175579148
N,N-dimethylmorpholine-2-carboxamide;ethane
CID 144883589
N,N-dimethylmorpholine-2-carboxamide;hydrochloride
CID 71298970

Frequently Asked Questions

What is the IUPAC name of bis(1,3-oxazolidin-5-yl)methanone?
The IUPAC name of bis(1,3-oxazolidin-5-yl)methanone (CID 174600635) is bis(1,3-oxazolidin-5-yl)methanone.
What is the SMILES notation for bis(1,3-oxazolidin-5-yl)methanone?
The canonical SMILES for bis(1,3-oxazolidin-5-yl)methanone is O=C(C1CNCO1)C1CNCO1.
What is the InChIKey of bis(1,3-oxazolidin-5-yl)methanone?
The InChIKey is XOJUENSHBYKHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c10-7(5-1-8-3-11-5)6-2-9-4-12-6/h5-6,8-9H,1-4H2.
What are the key properties of bis(1,3-oxazolidin-5-yl)methanone?
bis(1,3-oxazolidin-5-yl)methanone has a molecular weight of 172.18 g/mol, XLogP of -1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,3-oxazolidin-5-yl)methanone is sourced from PubChem (CID 174600635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).