2-(1,3-oxazol-2-yl)ethane-1,1-diamine

C5H9N3O — CID 67834564

IUPAC2-(1,3-oxazol-2-yl)ethane-1,1-diamine
SMILESNC(N)Cc1ncco1
InChIInChI=1S/C5H9N3O/c6-4(7)3-5-8-1-2-9-5/h1-2,4H,3,6-7H2
InChIKeyONNZPNYUBWKHBT-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.54
Rot. Bonds2

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

2-(1,3-oxazol-2-yl)ethane-1,1-diamine (PubChem CID 67834564) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 2-(1,3-oxazol-2-yl)ethane-1,1-diamine.

Molecular Properties

Compound Name2-(1,3-oxazol-2-yl)ethane-1,1-diamine
PubChem CID67834564
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name2-(1,3-oxazol-2-yl)ethane-1,1-diamine
SMILESNC(N)Cc1ncco1
InChIInChI=1S/C5H9N3O/c6-4(7)3-5-8-1-2-9-5/h1-2,4H,3,6-7H2
InChIKeyONNZPNYUBWKHBT-UHFFFAOYSA-N
XLogP-0.54
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.54
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 2-(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

Related Compounds

2-(1,3-oxazol-2-ylmethyl)guanidine
CID 141427084
4-[1-(1,3-oxazol-2-yl)propan-2-yl]benzene-1,3-diol
CID 138513626
2,2-dimethyl-1-(1,3-oxazol-2-yl)propan-1-amine
CID 82416552
(1S)-1-(1,3-oxazol-2-yl)ethanamine
CID 28924825
lithium 2-(1,3-oxazol-2-yl)acetate
CID 146049724
1-(1,3-oxazol-2-yl)-2-pyridin-4-ylethanamine
CID 82404673
2-[(2E)-penta-2,4-dienyl]-1,3-oxazole
CID 173339967
2-[2-(4-bromophenyl)ethyl]-1,3-oxazole
CID 82481392
N-(1,3-oxazol-2-ylmethyl)acetamide
CID 89078638
(1S,2S)-2-methyl-1-(1,3-oxazol-2-yl)butan-1-amine
CID 166692011
2-amino-1-(1,3-oxazol-2-yl)-3-phenylpropan-1-ol
CID 22284675
4-(1,3-oxazol-2-ylsulfanyl)butan-2-amine
CID 106927407

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-oxazol-2-yl)ethane-1,1-diamine?
The IUPAC name of 2-(1,3-oxazol-2-yl)ethane-1,1-diamine (CID 67834564) is 2-(1,3-oxazol-2-yl)ethane-1,1-diamine.
What is the SMILES notation for 2-(1,3-oxazol-2-yl)ethane-1,1-diamine?
The canonical SMILES for 2-(1,3-oxazol-2-yl)ethane-1,1-diamine is NC(N)Cc1ncco1.
What is the InChIKey of 2-(1,3-oxazol-2-yl)ethane-1,1-diamine?
The InChIKey is ONNZPNYUBWKHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c6-4(7)3-5-8-1-2-9-5/h1-2,4H,3,6-7H2.
What are the key properties of 2-(1,3-oxazol-2-yl)ethane-1,1-diamine?
2-(1,3-oxazol-2-yl)ethane-1,1-diamine has a molecular weight of 127.15 g/mol, XLogP of -0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-oxazol-2-yl)ethane-1,1-diamine is sourced from PubChem (CID 67834564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).