1-(diethylamino)-3-(1,2-oxazol-5-ylmethylamino)propan-2-ol

C11H21N3O2 — CID 106417397

IUPAC1-(diethylamino)-3-(1,2-oxazol-5-ylmethylamino)propan-2-ol
SMILESCCN(CC)CC(O)CNCc1ccno1
InChIInChI=1S/C11H21N3O2/c1-3-14(4-2)9-10(15)7-12-8-11-5-6-13-16-11/h5-6,10,12,15H,3-4,7-9H2,1-2H3
InChIKeyVNRYSLMMUSLCRM-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.47
Rot. Bonds8

About 1-(diethylamino)-3-(1,2-oxazol-5-ylmethylamino)propan-2-ol

1-(diethylamino)-3-(1,2-oxazol-5-ylmethylamino)propan-2-ol (PubChem CID 106417397) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-(diethylamino)-3-(1,2-oxazol-5-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(diethylamino)-3-(1,2-oxazol-5-ylmethylamino)propan-2-ol
PubChem CID106417397
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name1-(diethylamino)-3-(1,2-oxazol-5-ylmethylamino)propan-2-ol
SMILESCCN(CC)CC(O)CNCc1ccno1
InChIInChI=1S/C11H21N3O2/c1-3-14(4-2)9-10(15)7-12-8-11-5-6-13-16-11/h5-6,10,12,15H,3-4,7-9H2,1-2H3
InChIKeyVNRYSLMMUSLCRM-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-5-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

Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)-3-(1,2-oxazol-5-ylmethylamino)propan-2-ol?
The IUPAC name of 1-(diethylamino)-3-(1,2-oxazol-5-ylmethylamino)propan-2-ol (CID 106417397) is 1-(diethylamino)-3-(1,2-oxazol-5-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1-(diethylamino)-3-(1,2-oxazol-5-ylmethylamino)propan-2-ol?
The canonical SMILES for 1-(diethylamino)-3-(1,2-oxazol-5-ylmethylamino)propan-2-ol is CCN(CC)CC(O)CNCc1ccno1.
What is the InChIKey of 1-(diethylamino)-3-(1,2-oxazol-5-ylmethylamino)propan-2-ol?
The InChIKey is VNRYSLMMUSLCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-3-14(4-2)9-10(15)7-12-8-11-5-6-13-16-11/h5-6,10,12,15H,3-4,7-9H2,1-2H3.
What are the key properties of 1-(diethylamino)-3-(1,2-oxazol-5-ylmethylamino)propan-2-ol?
1-(diethylamino)-3-(1,2-oxazol-5-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-5-ylmethylamino)propan-2-ol is sourced from PubChem (CID 106417397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).