(4S)-1,3-oxazolidin-4-amine

C3H8N2O — CID 142041357

IUPAC(4S)-1,3-oxazolidin-4-amine
SMILESN[C@@H]1COCN1
InChIInChI=1S/C3H8N2O/c4-3-1-6-2-5-3/h3,5H,1-2,4H2/t3-/m0/s1
InChIKeyGRDHTAAWVDBBML-VKHMYHEASA-N
MW88.11 g/mol
LogP-1.15
Rot. Bonds

About (4S)-1,3-oxazolidin-4-amine

(4S)-1,3-oxazolidin-4-amine (PubChem CID 142041357) has the molecular formula C3H8N2O and a molecular weight of 88.11 g/mol. Its IUPAC name is (4S)-1,3-oxazolidin-4-amine.

Molecular Properties

Compound Name(4S)-1,3-oxazolidin-4-amine
PubChem CID142041357
Molecular FormulaC3H8N2O
Molecular Weight88.11 g/mol
Exact Mass88.06
IUPAC Name(4S)-1,3-oxazolidin-4-amine
SMILESN[C@@H]1COCN1
InChIInChI=1S/C3H8N2O/c4-3-1-6-2-5-3/h3,5H,1-2,4H2/t3-/m0/s1
InChIKeyGRDHTAAWVDBBML-VKHMYHEASA-N
XLogP-1.15
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.11
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-1,3-oxazolidin-4-amine?
The IUPAC name of (4S)-1,3-oxazolidin-4-amine (CID 142041357) is (4S)-1,3-oxazolidin-4-amine.
What is the SMILES notation for (4S)-1,3-oxazolidin-4-amine?
The canonical SMILES for (4S)-1,3-oxazolidin-4-amine is N[C@@H]1COCN1.
What is the InChIKey of (4S)-1,3-oxazolidin-4-amine?
The InChIKey is GRDHTAAWVDBBML-VKHMYHEASA-N. The full InChI is InChI=1S/C3H8N2O/c4-3-1-6-2-5-3/h3,5H,1-2,4H2/t3-/m0/s1.
What are the key properties of (4S)-1,3-oxazolidin-4-amine?
(4S)-1,3-oxazolidin-4-amine has a molecular weight of 88.11 g/mol, XLogP of -1.15, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1,3-oxazolidin-4-amine is sourced from PubChem (CID 142041357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).