1,3-oxazol-2-ylmethanamine;dihydrochloride

C4H8Cl2N2O — CID 135355718

IUPAC1,3-oxazol-2-ylmethanamine;dihydrochloride
SMILESCl.Cl.NCc1ncco1
InChIInChI=1S/C4H6N2O.2ClH/c5-3-4-6-1-2-7-4;;/h1-2H,3,5H2;2*1H
InChIKeyHFXISSOHWQPPTK-UHFFFAOYSA-N
MW171.03 g/mol
LogP0.98
Rot. Bonds1

About 1,3-oxazol-2-ylmethanamine;dihydrochloride

1,3-oxazol-2-ylmethanamine;dihydrochloride (PubChem CID 135355718) has the molecular formula C4H8Cl2N2O and a molecular weight of 171.03 g/mol. Its IUPAC name is 1,3-oxazol-2-ylmethanamine;dihydrochloride.

Molecular Properties

Compound Name1,3-oxazol-2-ylmethanamine;dihydrochloride
PubChem CID135355718
Molecular FormulaC4H8Cl2N2O
Molecular Weight171.03 g/mol
Exact Mass170.00
IUPAC Name1,3-oxazol-2-ylmethanamine;dihydrochloride
SMILESCl.Cl.NCc1ncco1
InChIInChI=1S/C4H6N2O.2ClH/c5-3-4-6-1-2-7-4;;/h1-2H,3,5H2;2*1H
InChIKeyHFXISSOHWQPPTK-UHFFFAOYSA-N
XLogP0.98
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.03
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-1,3-oxazole
CID 12547675
Oxazole-2-carbonitrile
CID 19809513
1-(1,3-Oxazol-2-yl)ethan-1-amine
CID 19896984
1-(1,3-Oxazol-2-yl)methanamine hydrochloride
CID 46912060
2-(Chloromethyl)-1,3-oxazole hydrochloride
CID 155858959
2,2,2-Trifluoro-1-(1,3-oxazol-2-yl)ethan-1-amine hydrochloride
CID 165985158
2,2,2-Trifluoro-1-(oxazol-2-yl)ethan-1-aminium chloride
CID 168474933
1,3-Oxazole-2-carboxamide
CID 18542107
Azafuramidine
CID 22570837
2-Methyl-oxazolium perchlorate
CID 137552808
Oxazol-2-ylmethanamine
CID 18947655
2-(Fluoromethyl)-1,3-oxazole
CID 23196676

Frequently Asked Questions

What is the IUPAC name of 1,3-oxazol-2-ylmethanamine;dihydrochloride?
The IUPAC name of 1,3-oxazol-2-ylmethanamine;dihydrochloride (CID 135355718) is 1,3-oxazol-2-ylmethanamine;dihydrochloride.
What is the SMILES notation for 1,3-oxazol-2-ylmethanamine;dihydrochloride?
The canonical SMILES for 1,3-oxazol-2-ylmethanamine;dihydrochloride is Cl.Cl.NCc1ncco1.
What is the InChIKey of 1,3-oxazol-2-ylmethanamine;dihydrochloride?
The InChIKey is HFXISSOHWQPPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O.2ClH/c5-3-4-6-1-2-7-4;;/h1-2H,3,5H2;2*1H.
What are the key properties of 1,3-oxazol-2-ylmethanamine;dihydrochloride?
1,3-oxazol-2-ylmethanamine;dihydrochloride has a molecular weight of 171.03 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazol-2-ylmethanamine;dihydrochloride is sourced from PubChem (CID 135355718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).