2-(1-aminoethyl)-4-methyl-4H-1,3-oxazol-5-one

C6H10N2O2 — CID 44558564

IUPAC2-(1-aminoethyl)-4-methyl-4H-1,3-oxazol-5-one
SMILESCC(N)C1=NC(C)C(=O)O1
InChIInChI=1S/C6H10N2O2/c1-3(7)5-8-4(2)6(9)10-5/h3-4H,7H2,1-2H3
InChIKeyQXHHHNXNVPRWDG-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.32
Rot. Bonds1

About 2-(1-aminoethyl)-4-methyl-4H-1,3-oxazol-5-one

2-(1-aminoethyl)-4-methyl-4H-1,3-oxazol-5-one (PubChem CID 44558564) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 2-(1-aminoethyl)-4-methyl-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-(1-aminoethyl)-4-methyl-4H-1,3-oxazol-5-one
PubChem CID44558564
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name2-(1-aminoethyl)-4-methyl-4H-1,3-oxazol-5-one
SMILESCC(N)C1=NC(C)C(=O)O1
InChIInChI=1S/C6H10N2O2/c1-3(7)5-8-4(2)6(9)10-5/h3-4H,7H2,1-2H3
InChIKeyQXHHHNXNVPRWDG-UHFFFAOYSA-N
XLogP-0.32
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-4-methyl-4H-1,3-oxazol-5-one?
The IUPAC name of 2-(1-aminoethyl)-4-methyl-4H-1,3-oxazol-5-one (CID 44558564) is 2-(1-aminoethyl)-4-methyl-4H-1,3-oxazol-5-one.
What is the SMILES notation for 2-(1-aminoethyl)-4-methyl-4H-1,3-oxazol-5-one?
The canonical SMILES for 2-(1-aminoethyl)-4-methyl-4H-1,3-oxazol-5-one is CC(N)C1=NC(C)C(=O)O1.
What is the InChIKey of 2-(1-aminoethyl)-4-methyl-4H-1,3-oxazol-5-one?
The InChIKey is QXHHHNXNVPRWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-3(7)5-8-4(2)6(9)10-5/h3-4H,7H2,1-2H3.
What are the key properties of 2-(1-aminoethyl)-4-methyl-4H-1,3-oxazol-5-one?
2-(1-aminoethyl)-4-methyl-4H-1,3-oxazol-5-one has a molecular weight of 142.16 g/mol, XLogP of -0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-4-methyl-4H-1,3-oxazol-5-one is sourced from PubChem (CID 44558564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).