3-methyl-4H-1,2-oxazol-5-one;morpholine

C8H14N2O3 — CID 6455572

IUPAC3-methyl-4H-1,2-oxazol-5-one;morpholine
SMILESC1COCCN1.CC1=NOC(=O)C1
InChIInChI=1S/C4H5NO2.C4H9NO/c1-3-2-4(6)7-5-3;1-3-6-4-2-5-1/h2H2,1H3;5H,1-4H2
InChIKeyUNTXTXCRCQLVPT-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.08
Rot. Bonds

About 3-methyl-4H-1,2-oxazol-5-one;morpholine

3-methyl-4H-1,2-oxazol-5-one;morpholine (PubChem CID 6455572) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 3-methyl-4H-1,2-oxazol-5-one;morpholine.

Molecular Properties

Compound Name3-methyl-4H-1,2-oxazol-5-one;morpholine
PubChem CID6455572
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name3-methyl-4H-1,2-oxazol-5-one;morpholine
SMILESC1COCCN1.CC1=NOC(=O)C1
InChIInChI=1S/C4H5NO2.C4H9NO/c1-3-2-4(6)7-5-3;1-3-6-4-2-5-1/h2H2,1H3;5H,1-4H2
InChIKeyUNTXTXCRCQLVPT-UHFFFAOYSA-N
XLogP-0.08
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'oxime_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4H-1,2-oxazol-5-one;morpholine?
The IUPAC name of 3-methyl-4H-1,2-oxazol-5-one;morpholine (CID 6455572) is 3-methyl-4H-1,2-oxazol-5-one;morpholine.
What is the SMILES notation for 3-methyl-4H-1,2-oxazol-5-one;morpholine?
The canonical SMILES for 3-methyl-4H-1,2-oxazol-5-one;morpholine is C1COCCN1.CC1=NOC(=O)C1.
What is the InChIKey of 3-methyl-4H-1,2-oxazol-5-one;morpholine?
The InChIKey is UNTXTXCRCQLVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2.C4H9NO/c1-3-2-4(6)7-5-3;1-3-6-4-2-5-1/h2H2,1H3;5H,1-4H2.
What are the key properties of 3-methyl-4H-1,2-oxazol-5-one;morpholine?
3-methyl-4H-1,2-oxazol-5-one;morpholine has a molecular weight of 186.21 g/mol, XLogP of -0.08, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4H-1,2-oxazol-5-one;morpholine is sourced from PubChem (CID 6455572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).