3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-dimethylpropan-1-amine;hydrochloride

C10H19ClN2O — CID 122240201

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-dimethylpropan-1-amine;hydrochloride
SMILESCc1noc(C)c1CC(C)(C)CN.Cl
InChIInChI=1S/C10H18N2O.ClH/c1-7-9(8(2)13-12-7)5-10(3,4)6-11;/h5-6,11H2,1-4H3;1H
InChIKeyHGHKXLCUFZIDRT-UHFFFAOYSA-N
MW218.73 g/mol
LogP2.24
Rot. Bonds3

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-dimethylpropan-1-amine;hydrochloride

3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-dimethylpropan-1-amine;hydrochloride (PubChem CID 122240201) has the molecular formula C10H19ClN2O and a molecular weight of 218.73 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-dimethylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-dimethylpropan-1-amine;hydrochloride
PubChem CID122240201
Molecular FormulaC10H19ClN2O
Molecular Weight218.73 g/mol
Exact Mass218.12
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-dimethylpropan-1-amine;hydrochloride
SMILESCc1noc(C)c1CC(C)(C)CN.Cl
InChIInChI=1S/C10H18N2O.ClH/c1-7-9(8(2)13-12-7)5-10(3,4)6-11;/h5-6,11H2,1-4H3;1H
InChIKeyHGHKXLCUFZIDRT-UHFFFAOYSA-N
XLogP2.24
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.73
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-2-phenylpropan-1-amine
CID 82140365
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CID 82155360
4-(2,2-dimethylbut-3-ynyl)-3,5-dimethyl-1,2-oxazole
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N-(1-amino-2-methylpropan-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide;hydrochloride
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4-(3,3-dimethylbutyl)-3,5-dimethyl-1,2-oxazole
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(3,5-dimethyl-1,2-oxazol-4-yl)methanethiol
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2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfinyl]ethanamine
CID 58684565
4-(2,2-dimethylpropylsulfanylmethyl)-3,5-dimethyl-1,2-oxazole
CID 21060320
4-(chloromethyl)-3,5-dimethyl-1,2-oxazole chloride
CID 22500933
N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethane-1,2-diamine
CID 60887968
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-2-methylpropan-1-amine
CID 66224289
2-amino-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-ol;hydrochloride
CID 170892789

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-dimethylpropan-1-amine;hydrochloride?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-dimethylpropan-1-amine;hydrochloride (CID 122240201) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-dimethylpropan-1-amine;hydrochloride.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-dimethylpropan-1-amine;hydrochloride?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-dimethylpropan-1-amine;hydrochloride is Cc1noc(C)c1CC(C)(C)CN.Cl.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-dimethylpropan-1-amine;hydrochloride?
The InChIKey is HGHKXLCUFZIDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O.ClH/c1-7-9(8(2)13-12-7)5-10(3,4)6-11;/h5-6,11H2,1-4H3;1H.
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-dimethylpropan-1-amine;hydrochloride?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-dimethylpropan-1-amine;hydrochloride has a molecular weight of 218.73 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-dimethylpropan-1-amine;hydrochloride is sourced from PubChem (CID 122240201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).