1-[(2-methylpropan-2-yl)oxy]-3-(1,2-oxazol-3-ylmethylamino)propan-2-ol

C11H20N2O3 — CID 81178583

IUPAC1-[(2-methylpropan-2-yl)oxy]-3-(1,2-oxazol-3-ylmethylamino)propan-2-ol
SMILESCC(C)(C)OCC(O)CNCc1ccon1
InChIInChI=1S/C11H20N2O3/c1-11(2,3)15-8-10(14)7-12-6-9-4-5-16-13-9/h4-5,10,12,14H,6-8H2,1-3H3
InChIKeyRIIBHLQQNQYGLA-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.94
Rot. Bonds6

About 1-[(2-methylpropan-2-yl)oxy]-3-(1,2-oxazol-3-ylmethylamino)propan-2-ol

1-[(2-methylpropan-2-yl)oxy]-3-(1,2-oxazol-3-ylmethylamino)propan-2-ol (PubChem CID 81178583) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]-3-(1,2-oxazol-3-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]-3-(1,2-oxazol-3-ylmethylamino)propan-2-ol
PubChem CID81178583
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name1-[(2-methylpropan-2-yl)oxy]-3-(1,2-oxazol-3-ylmethylamino)propan-2-ol
SMILESCC(C)(C)OCC(O)CNCc1ccon1
InChIInChI=1S/C11H20N2O3/c1-11(2,3)15-8-10(14)7-12-6-9-4-5-16-13-9/h4-5,10,12,14H,6-8H2,1-3H3
InChIKeyRIIBHLQQNQYGLA-UHFFFAOYSA-N
XLogP0.94
TPSA67.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(2-methylpropan-2-yl)oxy]-3-(1,2-oxazol-3-ylmethylamino)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methoxyphenoxy)-3-(1,2-oxazol-3-ylmethylamino)propan-2-ol
CID 81177818
1-(diethylamino)-3-(1,2-oxazol-3-ylmethylamino)propan-2-ol
CID 81176957
1-(1,2-oxazol-3-ylmethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 81178345
1-[(6-methoxy-3-pyridinyl)methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 62991515
methyl 2-bromo-3-(1,2-oxazol-3-ylmethylamino)propanoate
CID 103259745
1-[(2-methoxyphenyl)methylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 60634429
(1R)-1-(4-bromophenyl)-2-(1,2-oxazol-3-ylmethylamino)ethanol
CID 138017487
1-[2-(furan-2-yl)ethylamino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 54907244
1-[(2-methyl-2-phenylpropyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 60987900
1-[(2-methylpropan-2-yl)oxy]-3-(2-phenylethylamino)propan-2-ol
CID 60634058
2-methoxy-N-(1,2-oxazol-3-ylmethyl)ethanamine
CID 62544782
N-benzyl-2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]amino]acetamide
CID 60971674

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-3-(1,2-oxazol-3-ylmethylamino)propan-2-ol?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-3-(1,2-oxazol-3-ylmethylamino)propan-2-ol (CID 81178583) is 1-[(2-methylpropan-2-yl)oxy]-3-(1,2-oxazol-3-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]-3-(1,2-oxazol-3-ylmethylamino)propan-2-ol?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]-3-(1,2-oxazol-3-ylmethylamino)propan-2-ol is CC(C)(C)OCC(O)CNCc1ccon1.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]-3-(1,2-oxazol-3-ylmethylamino)propan-2-ol?
The InChIKey is RIIBHLQQNQYGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-11(2,3)15-8-10(14)7-12-6-9-4-5-16-13-9/h4-5,10,12,14H,6-8H2,1-3H3.
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]-3-(1,2-oxazol-3-ylmethylamino)propan-2-ol?
1-[(2-methylpropan-2-yl)oxy]-3-(1,2-oxazol-3-ylmethylamino)propan-2-ol has a molecular weight of 228.29 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxy]-3-(1,2-oxazol-3-ylmethylamino)propan-2-ol is sourced from PubChem (CID 81178583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).