2-amino-3-(dimethylamino)-1-(5-methyl-1,2-oxazol-3-yl)propan-1-ol

C9H17N3O2 — CID 82397797

IUPAC2-amino-3-(dimethylamino)-1-(5-methyl-1,2-oxazol-3-yl)propan-1-ol
SMILESCc1cc(C(O)C(N)CN(C)C)no1
InChIInChI=1S/C9H17N3O2/c1-6-4-8(11-14-6)9(13)7(10)5-12(2)3/h4,7,9,13H,5,10H2,1-3H3
InChIKeyDHWIEEKEQJEOCW-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.09
Rot. Bonds4

About 2-amino-3-(dimethylamino)-1-(5-methyl-1,2-oxazol-3-yl)propan-1-ol

2-amino-3-(dimethylamino)-1-(5-methyl-1,2-oxazol-3-yl)propan-1-ol (PubChem CID 82397797) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-amino-3-(dimethylamino)-1-(5-methyl-1,2-oxazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-(dimethylamino)-1-(5-methyl-1,2-oxazol-3-yl)propan-1-ol
PubChem CID82397797
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name2-amino-3-(dimethylamino)-1-(5-methyl-1,2-oxazol-3-yl)propan-1-ol
SMILESCc1cc(C(O)C(N)CN(C)C)no1
InChIInChI=1S/C9H17N3O2/c1-6-4-8(11-14-6)9(13)7(10)5-12(2)3/h4,7,9,13H,5,10H2,1-3H3
InChIKeyDHWIEEKEQJEOCW-UHFFFAOYSA-N
XLogP-0.09
TPSA75.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[(2R)-1-methylpyrrolidin-2-yl]-1,2-oxazol-3-yl]methanol
CID 44358933
(1S,2S)-2-amino-1-(3-decyl-1,2-oxazol-5-yl)propane-1,3-diol
CID 44461670
2,2,2-trifluoro-1-[5-[(3R,6R)-6-methylpiperidin-3-yl]-1,2-oxazol-3-yl]ethanol
CID 121315884
2,2,2-trifluoro-1-[5-[(6R)-6-methylpiperidin-3-yl]-1,2-oxazol-3-yl]ethanol
CID 145069798
3-Amino-1-[5-(trifluoromethyl)-1,2-oxazol-3-yl]propan-1-ol
CID 176174350
2-Amino-1-(3-decyl-1,2-oxazol-5-yl)propane-1,3-diol
CID 18373100
2-Amino-1-(5-propan-2-yl-1,2-oxazol-3-yl)butan-1-ol
CID 57535381
2-Amino-1-(5-isopropyl-isoxazol-3-yl)-butan-1-ol hydrochloride
CID 68825135
Bis[5-(aminomethyl)-1,2-oxazol-3-yl]methanol
CID 68936184
2-Amino-5-(3-ethyl-1,2-oxazol-5-yl)-3,4-dihydroxypentanoic acid
CID 71094579
5-(1-Aminoethyl)-1,2-oxazole-3-carboxylic acid
CID 84021014
[2-(Dimethylamino)ethylamino]-(5-methyl-1,2-oxazol-3-yl)methanol
CID 91009908

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(dimethylamino)-1-(5-methyl-1,2-oxazol-3-yl)propan-1-ol?
The IUPAC name of 2-amino-3-(dimethylamino)-1-(5-methyl-1,2-oxazol-3-yl)propan-1-ol (CID 82397797) is 2-amino-3-(dimethylamino)-1-(5-methyl-1,2-oxazol-3-yl)propan-1-ol.
What is the SMILES notation for 2-amino-3-(dimethylamino)-1-(5-methyl-1,2-oxazol-3-yl)propan-1-ol?
The canonical SMILES for 2-amino-3-(dimethylamino)-1-(5-methyl-1,2-oxazol-3-yl)propan-1-ol is Cc1cc(C(O)C(N)CN(C)C)no1.
What is the InChIKey of 2-amino-3-(dimethylamino)-1-(5-methyl-1,2-oxazol-3-yl)propan-1-ol?
The InChIKey is DHWIEEKEQJEOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-6-4-8(11-14-6)9(13)7(10)5-12(2)3/h4,7,9,13H,5,10H2,1-3H3.
What are the key properties of 2-amino-3-(dimethylamino)-1-(5-methyl-1,2-oxazol-3-yl)propan-1-ol?
2-amino-3-(dimethylamino)-1-(5-methyl-1,2-oxazol-3-yl)propan-1-ol has a molecular weight of 199.25 g/mol, XLogP of -0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(dimethylamino)-1-(5-methyl-1,2-oxazol-3-yl)propan-1-ol is sourced from PubChem (CID 82397797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).