1-(1,3-oxazol-5-yl)ethanamine;dihydrochloride

C5H10Cl2N2O — CID 91812495

IUPAC1-(1,3-oxazol-5-yl)ethanamine;dihydrochloride
SMILESCC(N)c1cnco1.Cl.Cl
InChIInChI=1S/C5H8N2O.2ClH/c1-4(6)5-2-7-3-8-5;;/h2-4H,6H2,1H3;2*1H
InChIKeySBKUUDGLAUQIDH-UHFFFAOYSA-N
MW185.05 g/mol
LogP1.54
Rot. Bonds1

About 1-(1,3-oxazol-5-yl)ethanamine;dihydrochloride

1-(1,3-oxazol-5-yl)ethanamine;dihydrochloride (PubChem CID 91812495) has the molecular formula C5H10Cl2N2O and a molecular weight of 185.05 g/mol. Its IUPAC name is 1-(1,3-oxazol-5-yl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name1-(1,3-oxazol-5-yl)ethanamine;dihydrochloride
PubChem CID91812495
Molecular FormulaC5H10Cl2N2O
Molecular Weight185.05 g/mol
Exact Mass184.02
IUPAC Name1-(1,3-oxazol-5-yl)ethanamine;dihydrochloride
SMILESCC(N)c1cnco1.Cl.Cl
InChIInChI=1S/C5H8N2O.2ClH/c1-4(6)5-2-7-3-8-5;;/h2-4H,6H2,1H3;2*1H
InChIKeySBKUUDGLAUQIDH-UHFFFAOYSA-N
XLogP1.54
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.05
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-Methylethyl)oxazole
CID 12214112
5-Ethyl-1,3-oxazole
CID 12214113
Oxazol-5-ylmethanamine
CID 23404337
(1,3-Oxazol-5-yl)methanamine dihydrochloride
CID 71811106
(1,3-Oxazol-5-yl)methanamine hydrochloride
CID 45790095
2-(2-Methyl-1,3-oxazol-5-yl)ethan-1-amine dihydrochloride
CID 137964433
1-(Oxazol-5-yl)ethanamine
CID 18375760
3,3,3-Trifluoro-1-(1,3-oxazol-5-yl)propan-1-amine
CID 82409261
1-[2-(Fluoromethyl)-1,3-oxazol-5-yl]ethan-1-amine
CID 84762832
1-[2-(fluoromethyl)-1,3-oxazol-5-yl]-N-methylethanamine
CID 84764013
1-[2-(Difluoromethyl)-1,3-oxazol-5-yl]ethanamine
CID 84764459
1-[2-(2-Fluoropropan-2-yl)-1,3-oxazol-5-yl]ethanamine
CID 84766278

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-oxazol-5-yl)ethanamine;dihydrochloride?
The IUPAC name of 1-(1,3-oxazol-5-yl)ethanamine;dihydrochloride (CID 91812495) is 1-(1,3-oxazol-5-yl)ethanamine;dihydrochloride.
What is the SMILES notation for 1-(1,3-oxazol-5-yl)ethanamine;dihydrochloride?
The canonical SMILES for 1-(1,3-oxazol-5-yl)ethanamine;dihydrochloride is CC(N)c1cnco1.Cl.Cl.
What is the InChIKey of 1-(1,3-oxazol-5-yl)ethanamine;dihydrochloride?
The InChIKey is SBKUUDGLAUQIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O.2ClH/c1-4(6)5-2-7-3-8-5;;/h2-4H,6H2,1H3;2*1H.
What are the key properties of 1-(1,3-oxazol-5-yl)ethanamine;dihydrochloride?
1-(1,3-oxazol-5-yl)ethanamine;dihydrochloride has a molecular weight of 185.05 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-oxazol-5-yl)ethanamine;dihydrochloride is sourced from PubChem (CID 91812495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).