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

C7H13N3O2 — CID 20589476

IUPAC1-N'-[(5-methyl-1,2-oxazol-3-yl)oxymethyl]ethane-1,1-diamine
SMILESCc1cc(OCNC(C)N)no1
InChIInChI=1S/C7H13N3O2/c1-5-3-7(10-12-5)11-4-9-6(2)8/h3,6,9H,4,8H2,1-2H3
InChIKeyCJETUKLOFLEYLB-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.21
Rot. Bonds4

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

1-N'-[(5-methyl-1,2-oxazol-3-yl)oxymethyl]ethane-1,1-diamine (PubChem CID 20589476) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is 1-N'-[(5-methyl-1,2-oxazol-3-yl)oxymethyl]ethane-1,1-diamine.

Molecular Properties

Compound Name1-N'-[(5-methyl-1,2-oxazol-3-yl)oxymethyl]ethane-1,1-diamine
PubChem CID20589476
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name1-N'-[(5-methyl-1,2-oxazol-3-yl)oxymethyl]ethane-1,1-diamine
SMILESCc1cc(OCNC(C)N)no1
InChIInChI=1S/C7H13N3O2/c1-5-3-7(10-12-5)11-4-9-6(2)8/h3,6,9H,4,8H2,1-2H3
InChIKeyCJETUKLOFLEYLB-UHFFFAOYSA-N
XLogP0.21
TPSA73.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Trimethyl-[4-[(5-methyl-1,2-oxazol-3-yl)oxy]but-2-ynyl]azanium iodide
CID 44437242
3-[[(2S)-azetidin-2-yl]methoxy]-5-methyl-1,2-oxazole
CID 56949762
5-Methylisoxazol-3-yl dimethylcarbamate
CID 12467789
3-Methoxy-5-isoxazolemethanamine
CID 2763227
3-Methoxy-5-methylisoxazole
CID 11768539
N,N-dimethyl-4-[(5-methylisoxazol-3-yl)oxy]but-2-yn-1-amine methiodide
CID 24809738
N,N-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)oxy]but-2-yn-1-amine
CID 44437227
3-Ethoxy-5-methylisoxazole
CID 11332469
(5-Methyl-1,2-oxazol-3-yl) carbamate
CID 17774917
[5-(Aminomethyl)-1,2-oxazol-3-yl] carbamate;hydrochloride
CID 17935537
[5-(Aminomethyl)-1,2-oxazol-3-yl] carbamate
CID 17935538
5-Methyl-3-piperidin-4-yloxy-1,2-oxazole;hydrochloride
CID 19038137

Frequently Asked Questions

What is the IUPAC name of 1-N'-[(5-methyl-1,2-oxazol-3-yl)oxymethyl]ethane-1,1-diamine?
The IUPAC name of 1-N'-[(5-methyl-1,2-oxazol-3-yl)oxymethyl]ethane-1,1-diamine (CID 20589476) is 1-N'-[(5-methyl-1,2-oxazol-3-yl)oxymethyl]ethane-1,1-diamine.
What is the SMILES notation for 1-N'-[(5-methyl-1,2-oxazol-3-yl)oxymethyl]ethane-1,1-diamine?
The canonical SMILES for 1-N'-[(5-methyl-1,2-oxazol-3-yl)oxymethyl]ethane-1,1-diamine is Cc1cc(OCNC(C)N)no1.
What is the InChIKey of 1-N'-[(5-methyl-1,2-oxazol-3-yl)oxymethyl]ethane-1,1-diamine?
The InChIKey is CJETUKLOFLEYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-5-3-7(10-12-5)11-4-9-6(2)8/h3,6,9H,4,8H2,1-2H3.
What are the key properties of 1-N'-[(5-methyl-1,2-oxazol-3-yl)oxymethyl]ethane-1,1-diamine?
1-N'-[(5-methyl-1,2-oxazol-3-yl)oxymethyl]ethane-1,1-diamine has a molecular weight of 171.20 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[(5-methyl-1,2-oxazol-3-yl)oxymethyl]ethane-1,1-diamine is sourced from PubChem (CID 20589476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).