N,N-diethyl-4-(3-methyl-1,3-oxazolidin-2-yl)aniline

C14H22N2O — CID 3068530

IUPACN,N-diethyl-4-(3-methyl-1,3-oxazolidin-2-yl)aniline
SMILESCCN(CC)c1ccc(C2OCCN2C)cc1
InChIInChI=1S/C14H22N2O/c1-4-16(5-2)13-8-6-12(7-9-13)14-15(3)10-11-17-14/h6-9,14H,4-5,10-11H2,1-3H3
InChIKeyAQOXWLOCBVYCQI-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.49
Rot. Bonds4

About N,N-diethyl-4-(3-methyl-1,3-oxazolidin-2-yl)aniline

N,N-diethyl-4-(3-methyl-1,3-oxazolidin-2-yl)aniline (PubChem CID 3068530) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N,N-diethyl-4-(3-methyl-1,3-oxazolidin-2-yl)aniline.

Molecular Properties

Compound NameN,N-diethyl-4-(3-methyl-1,3-oxazolidin-2-yl)aniline
PubChem CID3068530
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN,N-diethyl-4-(3-methyl-1,3-oxazolidin-2-yl)aniline
SMILESCCN(CC)c1ccc(C2OCCN2C)cc1
InChIInChI=1S/C14H22N2O/c1-4-16(5-2)13-8-6-12(7-9-13)14-15(3)10-11-17-14/h6-9,14H,4-5,10-11H2,1-3H3
InChIKeyAQOXWLOCBVYCQI-UHFFFAOYSA-N
XLogP2.49
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze N,N-diethyl-4-(3-methyl-1,3-oxazolidin-2-yl)aniline 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 N,N-diethyl-4-(3-methyl-1,3-oxazolidin-2-yl)aniline?
The IUPAC name of N,N-diethyl-4-(3-methyl-1,3-oxazolidin-2-yl)aniline (CID 3068530) is N,N-diethyl-4-(3-methyl-1,3-oxazolidin-2-yl)aniline.
What is the SMILES notation for N,N-diethyl-4-(3-methyl-1,3-oxazolidin-2-yl)aniline?
The canonical SMILES for N,N-diethyl-4-(3-methyl-1,3-oxazolidin-2-yl)aniline is CCN(CC)c1ccc(C2OCCN2C)cc1.
What is the InChIKey of N,N-diethyl-4-(3-methyl-1,3-oxazolidin-2-yl)aniline?
The InChIKey is AQOXWLOCBVYCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-16(5-2)13-8-6-12(7-9-13)14-15(3)10-11-17-14/h6-9,14H,4-5,10-11H2,1-3H3.
What are the key properties of N,N-diethyl-4-(3-methyl-1,3-oxazolidin-2-yl)aniline?
N,N-diethyl-4-(3-methyl-1,3-oxazolidin-2-yl)aniline has a molecular weight of 234.34 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(3-methyl-1,3-oxazolidin-2-yl)aniline is sourced from PubChem (CID 3068530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).