3-(morpholin-3-ylmethyl)-2H-1,2-oxazol-5-one

C8H12N2O3 — CID 83846886

IUPAC3-(morpholin-3-ylmethyl)-2H-1,2-oxazol-5-one
SMILESO=c1cc(CC2COCCN2)[nH]o1
InChIInChI=1S/C8H12N2O3/c11-8-4-6(10-13-8)3-7-5-12-2-1-9-7/h4,7,9-10H,1-3,5H2
InChIKeyNDWYOVRSVDZYFL-UHFFFAOYSA-N
MW184.19 g/mol
LogP-0.50
Rot. Bonds2

About 3-(morpholin-3-ylmethyl)-2H-1,2-oxazol-5-one

3-(morpholin-3-ylmethyl)-2H-1,2-oxazol-5-one (PubChem CID 83846886) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 3-(morpholin-3-ylmethyl)-2H-1,2-oxazol-5-one.

Molecular Properties

Compound Name3-(morpholin-3-ylmethyl)-2H-1,2-oxazol-5-one
PubChem CID83846886
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name3-(morpholin-3-ylmethyl)-2H-1,2-oxazol-5-one
SMILESO=c1cc(CC2COCCN2)[nH]o1
InChIInChI=1S/C8H12N2O3/c11-8-4-6(10-13-8)3-7-5-12-2-1-9-7/h4,7,9-10H,1-3,5H2
InChIKeyNDWYOVRSVDZYFL-UHFFFAOYSA-N
XLogP-0.50
TPSA67.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(morpholin-3-ylmethyl)-2H-1,2-oxazol-5-one?
The IUPAC name of 3-(morpholin-3-ylmethyl)-2H-1,2-oxazol-5-one (CID 83846886) is 3-(morpholin-3-ylmethyl)-2H-1,2-oxazol-5-one.
What is the SMILES notation for 3-(morpholin-3-ylmethyl)-2H-1,2-oxazol-5-one?
The canonical SMILES for 3-(morpholin-3-ylmethyl)-2H-1,2-oxazol-5-one is O=c1cc(CC2COCCN2)[nH]o1.
What is the InChIKey of 3-(morpholin-3-ylmethyl)-2H-1,2-oxazol-5-one?
The InChIKey is NDWYOVRSVDZYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c11-8-4-6(10-13-8)3-7-5-12-2-1-9-7/h4,7,9-10H,1-3,5H2.
What are the key properties of 3-(morpholin-3-ylmethyl)-2H-1,2-oxazol-5-one?
3-(morpholin-3-ylmethyl)-2H-1,2-oxazol-5-one has a molecular weight of 184.19 g/mol, XLogP of -0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(morpholin-3-ylmethyl)-2H-1,2-oxazol-5-one is sourced from PubChem (CID 83846886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).