5-(aminomethyl)-1,3-oxazolidin-2-one

C4H8N2O2 — CID 10534645

IUPAC5-(aminomethyl)-1,3-oxazolidin-2-one
SMILESNCC1CNC(=O)O1
InChIInChI=1S/C4H8N2O2/c5-1-3-2-6-4(7)8-3/h3H,1-2,5H2,(H,6,7)
InChIKeyHUHZAMBLEKHDBP-UHFFFAOYSA-N
MW116.12 g/mol
LogP-0.95
Rot. Bonds1

About 5-(aminomethyl)-1,3-oxazolidin-2-one

5-(aminomethyl)-1,3-oxazolidin-2-one (PubChem CID 10534645) has the molecular formula C4H8N2O2 and a molecular weight of 116.12 g/mol. Its IUPAC name is 5-(aminomethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-1,3-oxazolidin-2-one
PubChem CID10534645
Molecular FormulaC4H8N2O2
Molecular Weight116.12 g/mol
Exact Mass116.06
IUPAC Name5-(aminomethyl)-1,3-oxazolidin-2-one
SMILESNCC1CNC(=O)O1
InChIInChI=1S/C4H8N2O2/c5-1-3-2-6-4(7)8-3/h3H,1-2,5H2,(H,6,7)
InChIKeyHUHZAMBLEKHDBP-UHFFFAOYSA-N
XLogP-0.95
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(aminomethyl)-1,3-oxazolidin-2-one (CID 10534645) is 5-(aminomethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(aminomethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(aminomethyl)-1,3-oxazolidin-2-one is NCC1CNC(=O)O1.
What is the InChIKey of 5-(aminomethyl)-1,3-oxazolidin-2-one?
The InChIKey is HUHZAMBLEKHDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2/c5-1-3-2-6-4(7)8-3/h3H,1-2,5H2,(H,6,7).
What are the key properties of 5-(aminomethyl)-1,3-oxazolidin-2-one?
5-(aminomethyl)-1,3-oxazolidin-2-one has a molecular weight of 116.12 g/mol, XLogP of -0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 10534645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).