1-(4,5-dihydro-1,3-oxazol-2-yl)ethane-1,1-diamine

C5H11N3O — CID 141418680

IUPAC1-(4,5-dihydro-1,3-oxazol-2-yl)ethane-1,1-diamine
SMILESCC(N)(N)C1=NCCO1
InChIInChI=1S/C5H11N3O/c1-5(6,7)4-8-2-3-9-4/h2-3,6-7H2,1H3
InChIKeyQNFRPBNXAYVBHM-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.95
Rot. Bonds1

About 1-(4,5-dihydro-1,3-oxazol-2-yl)ethane-1,1-diamine

1-(4,5-dihydro-1,3-oxazol-2-yl)ethane-1,1-diamine (PubChem CID 141418680) has the molecular formula C5H11N3O and a molecular weight of 129.16 g/mol. Its IUPAC name is 1-(4,5-dihydro-1,3-oxazol-2-yl)ethane-1,1-diamine.

Molecular Properties

Compound Name1-(4,5-dihydro-1,3-oxazol-2-yl)ethane-1,1-diamine
PubChem CID141418680
Molecular FormulaC5H11N3O
Molecular Weight129.16 g/mol
Exact Mass129.09
IUPAC Name1-(4,5-dihydro-1,3-oxazol-2-yl)ethane-1,1-diamine
SMILESCC(N)(N)C1=NCCO1
InChIInChI=1S/C5H11N3O/c1-5(6,7)4-8-2-3-9-4/h2-3,6-7H2,1H3
InChIKeyQNFRPBNXAYVBHM-UHFFFAOYSA-N
XLogP-0.95
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-(4,5-dihydro-1,3-oxazol-2-yl)ethane-1,1-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydro-1,3-oxazol-2-yl)ethane-1,1-diamine?
The IUPAC name of 1-(4,5-dihydro-1,3-oxazol-2-yl)ethane-1,1-diamine (CID 141418680) is 1-(4,5-dihydro-1,3-oxazol-2-yl)ethane-1,1-diamine.
What is the SMILES notation for 1-(4,5-dihydro-1,3-oxazol-2-yl)ethane-1,1-diamine?
The canonical SMILES for 1-(4,5-dihydro-1,3-oxazol-2-yl)ethane-1,1-diamine is CC(N)(N)C1=NCCO1.
What is the InChIKey of 1-(4,5-dihydro-1,3-oxazol-2-yl)ethane-1,1-diamine?
The InChIKey is QNFRPBNXAYVBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O/c1-5(6,7)4-8-2-3-9-4/h2-3,6-7H2,1H3.
What are the key properties of 1-(4,5-dihydro-1,3-oxazol-2-yl)ethane-1,1-diamine?
1-(4,5-dihydro-1,3-oxazol-2-yl)ethane-1,1-diamine has a molecular weight of 129.16 g/mol, XLogP of -0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydro-1,3-oxazol-2-yl)ethane-1,1-diamine is sourced from PubChem (CID 141418680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).