2-methyl-1-[1,2-oxazol-3-ylmethyl(propan-2-yl)amino]propan-2-ol

C11H20N2O2 — CID 71969456

IUPAC2-methyl-1-[1,2-oxazol-3-ylmethyl(propan-2-yl)amino]propan-2-ol
SMILESCC(C)N(Cc1ccon1)CC(C)(C)O
InChIInChI=1S/C11H20N2O2/c1-9(2)13(8-11(3,4)14)7-10-5-6-15-12-10/h5-6,9,14H,7-8H2,1-4H3
InChIKeyXVWWSDBXKBPWED-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.66
Rot. Bonds5

About 2-methyl-1-[1,2-oxazol-3-ylmethyl(propan-2-yl)amino]propan-2-ol

2-methyl-1-[1,2-oxazol-3-ylmethyl(propan-2-yl)amino]propan-2-ol (PubChem CID 71969456) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-methyl-1-[1,2-oxazol-3-ylmethyl(propan-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[1,2-oxazol-3-ylmethyl(propan-2-yl)amino]propan-2-ol
PubChem CID71969456
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-methyl-1-[1,2-oxazol-3-ylmethyl(propan-2-yl)amino]propan-2-ol
SMILESCC(C)N(Cc1ccon1)CC(C)(C)O
InChIInChI=1S/C11H20N2O2/c1-9(2)13(8-11(3,4)14)7-10-5-6-15-12-10/h5-6,9,14H,7-8H2,1-4H3
InChIKeyXVWWSDBXKBPWED-UHFFFAOYSA-N
XLogP1.66
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(Isoxazol-3-ylmethyl)-1-(3-methylbutyl)piperazin-2-yl]ethanol
CID 16191041
Methyl(1,2-oxazol-3-ylmethyl)amine
CID 23006272
N-(1,2-oxazol-3-ylmethyl)-N-(3,3,3-trifluoropropyl)cyclobutanamine
CID 71858837
9-(1,2-Oxazol-3-ylmethyl)-6-oxa-9-azaspiro[4.5]decane
CID 71915804
N-(1,2-oxazol-3-ylmethyl)-N-(3,3,3-trifluoropropyl)cyclopentanamine
CID 71973879
1-ethyl-N-(3-isoxazolylmethyl)-N-methyl-5-oxo-3-pyrrolidinecarboxamide
CID 72879217
N~1~-(tert-butyl)-N~3~-(isoxazol-3-ylmethyl)-N~3~-methyl-beta-alaninamide
CID 91831466
(2S)-N,2-dimethyl-3-morpholin-4-yl-N-(1,2-oxazol-3-ylmethyl)propanamide
CID 100013931
3-[[4-[2-(2-Methylpropoxy)ethyl]piperazin-1-yl]methyl]-1,2-oxazole
CID 121524176
(3S)-1-tert-butyl-3-[methyl(1,2-oxazol-3-ylmethyl)amino]pyrrolidin-2-one
CID 164639035
1,1,1-Trifluoro-3-(1,2-oxazol-3-ylmethylamino)propan-2-ol
CID 81170453
1-(1,2-Oxazol-3-ylmethyl)-4-(trifluoromethyl)piperidin-4-ol
CID 109885205

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1,2-oxazol-3-ylmethyl(propan-2-yl)amino]propan-2-ol?
The IUPAC name of 2-methyl-1-[1,2-oxazol-3-ylmethyl(propan-2-yl)amino]propan-2-ol (CID 71969456) is 2-methyl-1-[1,2-oxazol-3-ylmethyl(propan-2-yl)amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[1,2-oxazol-3-ylmethyl(propan-2-yl)amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[1,2-oxazol-3-ylmethyl(propan-2-yl)amino]propan-2-ol is CC(C)N(Cc1ccon1)CC(C)(C)O.
What is the InChIKey of 2-methyl-1-[1,2-oxazol-3-ylmethyl(propan-2-yl)amino]propan-2-ol?
The InChIKey is XVWWSDBXKBPWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-9(2)13(8-11(3,4)14)7-10-5-6-15-12-10/h5-6,9,14H,7-8H2,1-4H3.
What are the key properties of 2-methyl-1-[1,2-oxazol-3-ylmethyl(propan-2-yl)amino]propan-2-ol?
2-methyl-1-[1,2-oxazol-3-ylmethyl(propan-2-yl)amino]propan-2-ol has a molecular weight of 212.29 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1,2-oxazol-3-ylmethyl(propan-2-yl)amino]propan-2-ol is sourced from PubChem (CID 71969456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).