1-(diethylamino)-3-(1,2-oxazol-3-ylmethylamino)propan-2-ol

C11H21N3O2 — CID 81176957

IUPAC1-(diethylamino)-3-(1,2-oxazol-3-ylmethylamino)propan-2-ol
SMILESCCN(CC)CC(O)CNCc1ccon1
InChIInChI=1S/C11H21N3O2/c1-3-14(4-2)9-11(15)8-12-7-10-5-6-16-13-10/h5-6,11-12,15H,3-4,7-9H2,1-2H3
InChIKeyAJFXGFBURRTORY-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.47
Rot. Bonds8

About 1-(diethylamino)-3-(1,2-oxazol-3-ylmethylamino)propan-2-ol

1-(diethylamino)-3-(1,2-oxazol-3-ylmethylamino)propan-2-ol (PubChem CID 81176957) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-(diethylamino)-3-(1,2-oxazol-3-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(diethylamino)-3-(1,2-oxazol-3-ylmethylamino)propan-2-ol
PubChem CID81176957
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name1-(diethylamino)-3-(1,2-oxazol-3-ylmethylamino)propan-2-ol
SMILESCCN(CC)CC(O)CNCc1ccon1
InChIInChI=1S/C11H21N3O2/c1-3-14(4-2)9-11(15)8-12-7-10-5-6-16-13-10/h5-6,11-12,15H,3-4,7-9H2,1-2H3
InChIKeyAJFXGFBURRTORY-UHFFFAOYSA-N
XLogP0.47
TPSA61.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(diethylamino)-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-methylpropan-2-yl)oxy]-3-(1,2-oxazol-3-ylmethylamino)propan-2-ol
CID 81178583
1-(diethylamino)-3-(1,2-oxazol-5-ylmethylamino)propan-2-ol
CID 106417397
1-(diethylamino)-3-[(5-methylfuran-2-yl)methylamino]propan-2-ol
CID 55081357
1-(2-methoxyphenoxy)-3-(1,2-oxazol-3-ylmethylamino)propan-2-ol
CID 81177818
1-(diethylamino)-3-(thiophen-3-ylmethylamino)propan-2-ol
CID 63248314
1-(diethylamino)-3-[(2-fluorophenyl)methylamino]propan-2-ol
CID 60710845
(1R)-1-(4-bromophenyl)-2-(1,2-oxazol-3-ylmethylamino)ethanol
CID 138017487
1-(diethylamino)-3-[(3-methyl-2-pyridinyl)methylamino]propan-2-ol
CID 63306471
methyl 2-bromo-3-(1,2-oxazol-3-ylmethylamino)propanoate
CID 103259745
1-(diethylamino)-3-[(3-fluorophenyl)methylamino]propan-2-ol
CID 60900020
1-(1,2-oxazol-3-ylmethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 81178345
2-methoxy-N-(1,2-oxazol-3-ylmethyl)ethanamine
CID 62544782

Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)-3-(1,2-oxazol-3-ylmethylamino)propan-2-ol?
The IUPAC name of 1-(diethylamino)-3-(1,2-oxazol-3-ylmethylamino)propan-2-ol (CID 81176957) is 1-(diethylamino)-3-(1,2-oxazol-3-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1-(diethylamino)-3-(1,2-oxazol-3-ylmethylamino)propan-2-ol?
The canonical SMILES for 1-(diethylamino)-3-(1,2-oxazol-3-ylmethylamino)propan-2-ol is CCN(CC)CC(O)CNCc1ccon1.
What is the InChIKey of 1-(diethylamino)-3-(1,2-oxazol-3-ylmethylamino)propan-2-ol?
The InChIKey is AJFXGFBURRTORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-3-14(4-2)9-11(15)8-12-7-10-5-6-16-13-10/h5-6,11-12,15H,3-4,7-9H2,1-2H3.
What are the key properties of 1-(diethylamino)-3-(1,2-oxazol-3-ylmethylamino)propan-2-ol?
1-(diethylamino)-3-(1,2-oxazol-3-ylmethylamino)propan-2-ol has a molecular weight of 227.31 g/mol, XLogP of 0.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-3-(1,2-oxazol-3-ylmethylamino)propan-2-ol is sourced from PubChem (CID 81176957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).