1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-ethoxypropan-2-ol

C11H20N2O3 — CID 106372686

IUPAC1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-ethoxypropan-2-ol
SMILESCCOCC(O)CNCc1nc(C)c(C)o1
InChIInChI=1S/C11H20N2O3/c1-4-15-7-10(14)5-12-6-11-13-8(2)9(3)16-11/h10,12,14H,4-7H2,1-3H3
InChIKeyORONXVMEPUTQBO-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.78
Rot. Bonds7

About 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-ethoxypropan-2-ol

1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-ethoxypropan-2-ol (PubChem CID 106372686) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-ethoxypropan-2-ol.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-ethoxypropan-2-ol
PubChem CID106372686
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-ethoxypropan-2-ol
SMILESCCOCC(O)CNCc1nc(C)c(C)o1
InChIInChI=1S/C11H20N2O3/c1-4-15-7-10(14)5-12-6-11-13-8(2)9(3)16-11/h10,12,14H,4-7H2,1-3H3
InChIKeyORONXVMEPUTQBO-UHFFFAOYSA-N
XLogP0.78
TPSA67.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 106372856
1-cyclopentyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]propan-2-ol
CID 106372516
1-(3-bromophenoxy)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]propan-2-ol
CID 106372776
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 106372834
1-ethoxy-3-[(3-ethoxy-2-hydroxypropyl)amino]propan-2-ol
CID 139812156
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1-(furan-2-yl)ethanol
CID 106372593
5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pentan-2-ol
CID 106130930
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]hydroxylamine
CID 82594349
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylidenebutan-1-amine
CID 106372671
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylbutan-1-amine
CID 60972577
1-ethoxy-3-[(4-methyl-3-pyridinyl)methylamino]propan-2-ol
CID 114955407
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
CID 106372748

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-ethoxypropan-2-ol?
The IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-ethoxypropan-2-ol (CID 106372686) is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-ethoxypropan-2-ol.
What is the SMILES notation for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-ethoxypropan-2-ol?
The canonical SMILES for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-ethoxypropan-2-ol is CCOCC(O)CNCc1nc(C)c(C)o1.
What is the InChIKey of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-ethoxypropan-2-ol?
The InChIKey is ORONXVMEPUTQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-4-15-7-10(14)5-12-6-11-13-8(2)9(3)16-11/h10,12,14H,4-7H2,1-3H3.
What are the key properties of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-ethoxypropan-2-ol?
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-ethoxypropan-2-ol has a molecular weight of 228.29 g/mol, XLogP of 0.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-ethoxypropan-2-ol is sourced from PubChem (CID 106372686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).