5-(aminomethyl)-1,2-oxazol-4-amine

C4H7N3O — CID 117217402

IUPAC5-(aminomethyl)-1,2-oxazol-4-amine
SMILESNCc1oncc1N
InChIInChI=1S/C4H7N3O/c5-1-4-3(6)2-7-8-4/h2H,1,5-6H2
InChIKeyFWHZBHVMMAEGOT-UHFFFAOYSA-N
MW113.12 g/mol
LogP-0.28
Rot. Bonds1

About 5-(aminomethyl)-1,2-oxazol-4-amine

5-(aminomethyl)-1,2-oxazol-4-amine (PubChem CID 117217402) has the molecular formula C4H7N3O and a molecular weight of 113.12 g/mol. Its IUPAC name is 5-(aminomethyl)-1,2-oxazol-4-amine.

Molecular Properties

Compound Name5-(aminomethyl)-1,2-oxazol-4-amine
PubChem CID117217402
Molecular FormulaC4H7N3O
Molecular Weight113.12 g/mol
Exact Mass113.06
IUPAC Name5-(aminomethyl)-1,2-oxazol-4-amine
SMILESNCc1oncc1N
InChIInChI=1S/C4H7N3O/c5-1-4-3(6)2-7-8-4/h2H,1,5-6H2
InChIKeyFWHZBHVMMAEGOT-UHFFFAOYSA-N
XLogP-0.28
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methyl-1,2-oxazol-4-amine hydrochloride
CID 13033203
5-Methyl-1,2-oxazol-4-amine
CID 13033202
5-Methyl-4-nitroisoxazole
CID 12825780
5-Methyl-4-(methylamino)isoxazole
CID 13483371
5-(Trifluoromethyl)-1,2-oxazol-4-amine
CID 66442230
5-(Difluoromethyl)isoxazol-4-amine
CID 66442231
4-Isocyanato-5-(trifluoromethyl)-1,2-oxazole
CID 83914858
5-(2,2,2-Trifluoroethyl)-1,2-oxazol-4-amine
CID 165653900
5-(2-Fluoroethyl)-1,2-oxazol-4-amine
CID 165654004
5-(Fluoromethyl)-1,2-oxazol-4-amine
CID 165850009
N'-(5-methyl-1,2-oxazol-4-yl)-N-propylmethanediimine
CID 14341228
N-(5-methyl-1,2-oxazol-4-yl)-N'-propan-2-ylmethanediimine
CID 14341229

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1,2-oxazol-4-amine?
The IUPAC name of 5-(aminomethyl)-1,2-oxazol-4-amine (CID 117217402) is 5-(aminomethyl)-1,2-oxazol-4-amine.
What is the SMILES notation for 5-(aminomethyl)-1,2-oxazol-4-amine?
The canonical SMILES for 5-(aminomethyl)-1,2-oxazol-4-amine is NCc1oncc1N.
What is the InChIKey of 5-(aminomethyl)-1,2-oxazol-4-amine?
The InChIKey is FWHZBHVMMAEGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O/c5-1-4-3(6)2-7-8-4/h2H,1,5-6H2.
What are the key properties of 5-(aminomethyl)-1,2-oxazol-4-amine?
5-(aminomethyl)-1,2-oxazol-4-amine has a molecular weight of 113.12 g/mol, XLogP of -0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1,2-oxazol-4-amine is sourced from PubChem (CID 117217402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).