2-amino-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-ol;hydrochloride

C8H15ClN2O2 — CID 170892789

IUPAC2-amino-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-ol;hydrochloride
SMILESCc1noc(C)c1CC(N)CO.Cl
InChIInChI=1S/C8H14N2O2.ClH/c1-5-8(3-7(9)4-11)6(2)12-10-5;/h7,11H,3-4,9H2,1-2H3;1H
InChIKeyVOQPPIZTAUSJQO-UHFFFAOYSA-N
MW206.67 g/mol
LogP0.58
Rot. Bonds3

About 2-amino-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-ol;hydrochloride

2-amino-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-ol;hydrochloride (PubChem CID 170892789) has the molecular formula C8H15ClN2O2 and a molecular weight of 206.67 g/mol. Its IUPAC name is 2-amino-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-ol;hydrochloride
PubChem CID170892789
Molecular FormulaC8H15ClN2O2
Molecular Weight206.67 g/mol
Exact Mass206.08
IUPAC Name2-amino-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-ol;hydrochloride
SMILESCc1noc(C)c1CC(N)CO.Cl
InChIInChI=1S/C8H14N2O2.ClH/c1-5-8(3-7(9)4-11)6(2)12-10-5;/h7,11H,3-4,9H2,1-2H3;1H
InChIKeyVOQPPIZTAUSJQO-UHFFFAOYSA-N
XLogP0.58
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.67
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N,N-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propanamide;hydrochloride
CID 119331106
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-(1-hydroxypropan-2-yl)urea
CID 111439093
(2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoic acid
CID 92845870
3-amino-1-(3,5-dimethyl-1,2-oxazol-4-yl)butan-2-one
CID 82407822
(2S)-2-amino-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethanol
CID 66515955
3-amino-N,N-bis[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]butanamide
CID 119796957
(2S)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]propane-1,2-diol
CID 79241777
(2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]butan-1-ol
CID 28781690
(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-phenylpropan-1-ol
CID 102610247
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-phenylpropan-1-ol
CID 63260892
2-amino-3-(2,4,6-trimethylphenyl)propan-1-ol;hydrochloride
CID 170891844
2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]propanamide
CID 79235982

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-ol;hydrochloride?
The IUPAC name of 2-amino-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-ol;hydrochloride (CID 170892789) is 2-amino-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-ol;hydrochloride is Cc1noc(C)c1CC(N)CO.Cl.
What is the InChIKey of 2-amino-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-ol;hydrochloride?
The InChIKey is VOQPPIZTAUSJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2.ClH/c1-5-8(3-7(9)4-11)6(2)12-10-5;/h7,11H,3-4,9H2,1-2H3;1H.
What are the key properties of 2-amino-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-ol;hydrochloride?
2-amino-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-ol;hydrochloride has a molecular weight of 206.67 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-ol;hydrochloride is sourced from PubChem (CID 170892789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).