4,5-dimethyl-1,2-oxazol-3-amine;hydrochloride

C5H9ClN2O — CID 18800890

IUPAC4,5-dimethyl-1,2-oxazol-3-amine;hydrochloride
SMILESCc1onc(N)c1C.Cl
InChIInChI=1S/C5H8N2O.ClH/c1-3-4(2)8-7-5(3)6;/h1-2H3,(H2,6,7);1H
InChIKeyOKVZHGPFRXBQHI-UHFFFAOYSA-N
MW148.59 g/mol
LogP1.30
Rot. Bonds

About 4,5-dimethyl-1,2-oxazol-3-amine;hydrochloride

4,5-dimethyl-1,2-oxazol-3-amine;hydrochloride (PubChem CID 18800890) has the molecular formula C5H9ClN2O and a molecular weight of 148.59 g/mol. Its IUPAC name is 4,5-dimethyl-1,2-oxazol-3-amine;hydrochloride.

Molecular Properties

Compound Name4,5-dimethyl-1,2-oxazol-3-amine;hydrochloride
PubChem CID18800890
Molecular FormulaC5H9ClN2O
Molecular Weight148.59 g/mol
Exact Mass148.04
IUPAC Name4,5-dimethyl-1,2-oxazol-3-amine;hydrochloride
SMILESCc1onc(N)c1C.Cl
InChIInChI=1S/C5H8N2O.ClH/c1-3-4(2)8-7-5(3)6;/h1-2H3,(H2,6,7);1H
InChIKeyOKVZHGPFRXBQHI-UHFFFAOYSA-N
XLogP1.30
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.59
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1,2-oxazol-3-amine;hydrochloride?
The IUPAC name of 4,5-dimethyl-1,2-oxazol-3-amine;hydrochloride (CID 18800890) is 4,5-dimethyl-1,2-oxazol-3-amine;hydrochloride.
What is the SMILES notation for 4,5-dimethyl-1,2-oxazol-3-amine;hydrochloride?
The canonical SMILES for 4,5-dimethyl-1,2-oxazol-3-amine;hydrochloride is Cc1onc(N)c1C.Cl.
What is the InChIKey of 4,5-dimethyl-1,2-oxazol-3-amine;hydrochloride?
The InChIKey is OKVZHGPFRXBQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O.ClH/c1-3-4(2)8-7-5(3)6;/h1-2H3,(H2,6,7);1H.
What are the key properties of 4,5-dimethyl-1,2-oxazol-3-amine;hydrochloride?
4,5-dimethyl-1,2-oxazol-3-amine;hydrochloride has a molecular weight of 148.59 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1,2-oxazol-3-amine;hydrochloride is sourced from PubChem (CID 18800890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).