(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine;hydrochloride

C7H13ClN2O — CID 127263741

IUPAC(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine;hydrochloride
SMILESCc1noc(C)c1[C@@H](C)N.Cl
InChIInChI=1S/C7H12N2O.ClH/c1-4(8)7-5(2)9-10-6(7)3;/h4H,8H2,1-3H3;1H/t4-;/m1./s1
InChIKeyJBIDWRUFHQNMEO-PGMHMLKASA-N
MW176.65 g/mol
LogP1.73
Rot. Bonds1

About (1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine;hydrochloride

(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine;hydrochloride (PubChem CID 127263741) has the molecular formula C7H13ClN2O and a molecular weight of 176.65 g/mol. Its IUPAC name is (1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine;hydrochloride
PubChem CID127263741
Molecular FormulaC7H13ClN2O
Molecular Weight176.65 g/mol
Exact Mass176.07
IUPAC Name(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine;hydrochloride
SMILESCc1noc(C)c1[C@@H](C)N.Cl
InChIInChI=1S/C7H12N2O.ClH/c1-4(8)7-5(2)9-10-6(7)3;/h4H,8H2,1-3H3;1H/t4-;/m1./s1
InChIKeyJBIDWRUFHQNMEO-PGMHMLKASA-N
XLogP1.73
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.65
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine
CID 79231064
methyl 2-amino-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate
CID 131448183
2-amino-1-(3,5-dimethyl-1,2-oxazol-4-yl)butan-1-ol
CID 82406639
1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl thiocyanate
CID 142354021
2-amino-1-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropan-1-ol
CID 82406626
2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxypropanamide
CID 81102218
2-(3,5-dimethyl-1,2-oxazol-4-yl)propanedioic acid
CID 162373151
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(4-methylphenyl)ethanamine
CID 79236229
1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-tri(propan-2-yl)silylprop-2-yn-1-ol
CID 71246816
2-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrimidine-2,5-diamine
CID 79224969
2-amino-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-methoxypropanamide;hydrochloride
CID 120993315
1-(3,5-dimethyl-1,2-oxazol-4-yl)prop-2-yn-1-ol
CID 86720328

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine;hydrochloride?
The IUPAC name of (1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine;hydrochloride (CID 127263741) is (1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine;hydrochloride.
What is the SMILES notation for (1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine;hydrochloride?
The canonical SMILES for (1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine;hydrochloride is Cc1noc(C)c1[C@@H](C)N.Cl.
What is the InChIKey of (1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine;hydrochloride?
The InChIKey is JBIDWRUFHQNMEO-PGMHMLKASA-N. The full InChI is InChI=1S/C7H12N2O.ClH/c1-4(8)7-5(2)9-10-6(7)3;/h4H,8H2,1-3H3;1H/t4-;/m1./s1.
What are the key properties of (1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine;hydrochloride?
(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine;hydrochloride has a molecular weight of 176.65 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine;hydrochloride is sourced from PubChem (CID 127263741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).