2-amino-5-(hydroxymethyl)-1,3-oxazol-4-one

C4H6N2O3 — CID 55290399

IUPAC2-amino-5-(hydroxymethyl)-1,3-oxazol-4-one
SMILESNC1=NC(=O)C(CO)O1
InChIInChI=1S/C4H6N2O3/c5-4-6-3(8)2(1-7)9-4/h2,7H,1H2,(H2,5,6,8)
InChIKeyGARMQGNUZNHUJI-UHFFFAOYSA-N
MW130.10 g/mol
LogP-1.78
Rot. Bonds1

About 2-amino-5-(hydroxymethyl)-1,3-oxazol-4-one

2-amino-5-(hydroxymethyl)-1,3-oxazol-4-one (PubChem CID 55290399) has the molecular formula C4H6N2O3 and a molecular weight of 130.10 g/mol. Its IUPAC name is 2-amino-5-(hydroxymethyl)-1,3-oxazol-4-one.

Molecular Properties

Compound Name2-amino-5-(hydroxymethyl)-1,3-oxazol-4-one
PubChem CID55290399
Molecular FormulaC4H6N2O3
Molecular Weight130.10 g/mol
Exact Mass130.04
IUPAC Name2-amino-5-(hydroxymethyl)-1,3-oxazol-4-one
SMILESNC1=NC(=O)C(CO)O1
InChIInChI=1S/C4H6N2O3/c5-4-6-3(8)2(1-7)9-4/h2,7H,1H2,(H2,5,6,8)
InChIKeyGARMQGNUZNHUJI-UHFFFAOYSA-N
XLogP-1.78
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.10
LogP ≤ 5-1.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(hydroxymethyl)-1,3-oxazol-4-one?
The IUPAC name of 2-amino-5-(hydroxymethyl)-1,3-oxazol-4-one (CID 55290399) is 2-amino-5-(hydroxymethyl)-1,3-oxazol-4-one.
What is the SMILES notation for 2-amino-5-(hydroxymethyl)-1,3-oxazol-4-one?
The canonical SMILES for 2-amino-5-(hydroxymethyl)-1,3-oxazol-4-one is NC1=NC(=O)C(CO)O1.
What is the InChIKey of 2-amino-5-(hydroxymethyl)-1,3-oxazol-4-one?
The InChIKey is GARMQGNUZNHUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O3/c5-4-6-3(8)2(1-7)9-4/h2,7H,1H2,(H2,5,6,8).
What are the key properties of 2-amino-5-(hydroxymethyl)-1,3-oxazol-4-one?
2-amino-5-(hydroxymethyl)-1,3-oxazol-4-one has a molecular weight of 130.10 g/mol, XLogP of -1.78, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(hydroxymethyl)-1,3-oxazol-4-one is sourced from PubChem (CID 55290399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).