bis(4,5-dihydro-1,3-oxazol-2-yl)methanone;oxiran-2-ylmethanol

C10H14N2O5 — CID 175325803

IUPACbis(4,5-dihydro-1,3-oxazol-2-yl)methanone;oxiran-2-ylmethanol
SMILESO=C(C1=NCCO1)C1=NCCO1.OCC1CO1
InChIInChI=1S/C7H8N2O3.C3H6O2/c10-5(6-8-1-3-11-6)7-9-2-4-12-7;4-1-3-2-5-3/h1-4H2;3-4H,1-2H2
InChIKeyCQRNXZXCRBWTOK-UHFFFAOYSA-N
MW242.23 g/mol
LogP-1.21
Rot. Bonds3

About bis(4,5-dihydro-1,3-oxazol-2-yl)methanone;oxiran-2-ylmethanol

bis(4,5-dihydro-1,3-oxazol-2-yl)methanone;oxiran-2-ylmethanol (PubChem CID 175325803) has the molecular formula C10H14N2O5 and a molecular weight of 242.23 g/mol. Its IUPAC name is bis(4,5-dihydro-1,3-oxazol-2-yl)methanone;oxiran-2-ylmethanol.

Molecular Properties

Compound Namebis(4,5-dihydro-1,3-oxazol-2-yl)methanone;oxiran-2-ylmethanol
PubChem CID175325803
Molecular FormulaC10H14N2O5
Molecular Weight242.23 g/mol
Exact Mass242.09
IUPAC Namebis(4,5-dihydro-1,3-oxazol-2-yl)methanone;oxiran-2-ylmethanol
SMILESO=C(C1=NCCO1)C1=NCCO1.OCC1CO1
InChIInChI=1S/C7H8N2O3.C3H6O2/c10-5(6-8-1-3-11-6)7-9-2-4-12-7;4-1-3-2-5-3/h1-4H2;3-4H,1-2H2
InChIKeyCQRNXZXCRBWTOK-UHFFFAOYSA-N
XLogP-1.21
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-1.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(4,5-dihydro-1,3-oxazol-2-yl)methanone;oxiran-2-ylmethanol?
The IUPAC name of bis(4,5-dihydro-1,3-oxazol-2-yl)methanone;oxiran-2-ylmethanol (CID 175325803) is bis(4,5-dihydro-1,3-oxazol-2-yl)methanone;oxiran-2-ylmethanol.
What is the SMILES notation for bis(4,5-dihydro-1,3-oxazol-2-yl)methanone;oxiran-2-ylmethanol?
The canonical SMILES for bis(4,5-dihydro-1,3-oxazol-2-yl)methanone;oxiran-2-ylmethanol is O=C(C1=NCCO1)C1=NCCO1.OCC1CO1.
What is the InChIKey of bis(4,5-dihydro-1,3-oxazol-2-yl)methanone;oxiran-2-ylmethanol?
The InChIKey is CQRNXZXCRBWTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3.C3H6O2/c10-5(6-8-1-3-11-6)7-9-2-4-12-7;4-1-3-2-5-3/h1-4H2;3-4H,1-2H2.
What are the key properties of bis(4,5-dihydro-1,3-oxazol-2-yl)methanone;oxiran-2-ylmethanol?
bis(4,5-dihydro-1,3-oxazol-2-yl)methanone;oxiran-2-ylmethanol has a molecular weight of 242.23 g/mol, XLogP of -1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4,5-dihydro-1,3-oxazol-2-yl)methanone;oxiran-2-ylmethanol is sourced from PubChem (CID 175325803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).