(4-amino-1,2-oxazol-3-yl)methanol;propanoic acid

C7H12N2O4 — CID 67318719

IUPAC(4-amino-1,2-oxazol-3-yl)methanol;propanoic acid
SMILESCCC(=O)O.Nc1conc1CO
InChIInChI=1S/C4H6N2O2.C3H6O2/c5-3-2-8-6-4(3)1-7;1-2-3(4)5/h2,7H,1,5H2;2H2,1H3,(H,4,5)
InChIKeyGDWSOCHZNCNADP-UHFFFAOYSA-N
MW188.18 g/mol
LogP0.23
Rot. Bonds2

About (4-amino-1,2-oxazol-3-yl)methanol;propanoic acid

(4-amino-1,2-oxazol-3-yl)methanol;propanoic acid (PubChem CID 67318719) has the molecular formula C7H12N2O4 and a molecular weight of 188.18 g/mol. Its IUPAC name is (4-amino-1,2-oxazol-3-yl)methanol;propanoic acid.

Molecular Properties

Compound Name(4-amino-1,2-oxazol-3-yl)methanol;propanoic acid
PubChem CID67318719
Molecular FormulaC7H12N2O4
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name(4-amino-1,2-oxazol-3-yl)methanol;propanoic acid
SMILESCCC(=O)O.Nc1conc1CO
InChIInChI=1S/C4H6N2O2.C3H6O2/c5-3-2-8-6-4(3)1-7;1-2-3(4)5/h2,7H,1,5H2;2H2,1H3,(H,4,5)
InChIKeyGDWSOCHZNCNADP-UHFFFAOYSA-N
XLogP0.23
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-amino-1,2-oxazol-3-yl)methanol;propanoic acid?
The IUPAC name of (4-amino-1,2-oxazol-3-yl)methanol;propanoic acid (CID 67318719) is (4-amino-1,2-oxazol-3-yl)methanol;propanoic acid.
What is the SMILES notation for (4-amino-1,2-oxazol-3-yl)methanol;propanoic acid?
The canonical SMILES for (4-amino-1,2-oxazol-3-yl)methanol;propanoic acid is CCC(=O)O.Nc1conc1CO.
What is the InChIKey of (4-amino-1,2-oxazol-3-yl)methanol;propanoic acid?
The InChIKey is GDWSOCHZNCNADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O2.C3H6O2/c5-3-2-8-6-4(3)1-7;1-2-3(4)5/h2,7H,1,5H2;2H2,1H3,(H,4,5).
What are the key properties of (4-amino-1,2-oxazol-3-yl)methanol;propanoic acid?
(4-amino-1,2-oxazol-3-yl)methanol;propanoic acid has a molecular weight of 188.18 g/mol, XLogP of 0.23, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1,2-oxazol-3-yl)methanol;propanoic acid is sourced from PubChem (CID 67318719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).