N'-[(3-fluoro-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine

C6H10FN3O — CID 70457956

IUPACN'-[(3-fluoro-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine
SMILESNCCNCc1cc(F)no1
InChIInChI=1S/C6H10FN3O/c7-6-3-5(11-10-6)4-9-2-1-8/h3,9H,1-2,4,8H2
InChIKeyAEHBOZRIGCNMAL-UHFFFAOYSA-N
MW159.16 g/mol
LogP-0.14
Rot. Bonds4

About N'-[(3-fluoro-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine

N'-[(3-fluoro-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine (PubChem CID 70457956) has the molecular formula C6H10FN3O and a molecular weight of 159.16 g/mol. Its IUPAC name is N'-[(3-fluoro-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3-fluoro-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine
PubChem CID70457956
Molecular FormulaC6H10FN3O
Molecular Weight159.16 g/mol
Exact Mass159.08
IUPAC NameN'-[(3-fluoro-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine
SMILESNCCNCc1cc(F)no1
InChIInChI=1S/C6H10FN3O/c7-6-3-5(11-10-6)4-9-2-1-8/h3,9H,1-2,4,8H2
InChIKeyAEHBOZRIGCNMAL-UHFFFAOYSA-N
XLogP-0.14
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.16
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(3-fluoro-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-[(3-fluoro-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine (CID 70457956) is N'-[(3-fluoro-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[(3-fluoro-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-[(3-fluoro-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine is NCCNCc1cc(F)no1.
What is the InChIKey of N'-[(3-fluoro-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine?
The InChIKey is AEHBOZRIGCNMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN3O/c7-6-3-5(11-10-6)4-9-2-1-8/h3,9H,1-2,4,8H2.
What are the key properties of N'-[(3-fluoro-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine?
N'-[(3-fluoro-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine has a molecular weight of 159.16 g/mol, XLogP of -0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-fluoro-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 70457956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).