N,N-dibutyl-4,5-dihydro-1,3-oxazol-2-amine

C11H22N2O — CID 20523755

IUPACN,N-dibutyl-4,5-dihydro-1,3-oxazol-2-amine
SMILESCCCCN(CCCC)C1=NCCO1
InChIInChI=1S/C11H22N2O/c1-3-5-8-13(9-6-4-2)11-12-7-10-14-11/h3-10H2,1-2H3
InChIKeyBPSHCOJOQWMEQF-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.27
Rot. Bonds6

About N,N-dibutyl-4,5-dihydro-1,3-oxazol-2-amine

N,N-dibutyl-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 20523755) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N,N-dibutyl-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN,N-dibutyl-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID20523755
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN,N-dibutyl-4,5-dihydro-1,3-oxazol-2-amine
SMILESCCCCN(CCCC)C1=NCCO1
InChIInChI=1S/C11H22N2O/c1-3-5-8-13(9-6-4-2)11-12-7-10-14-11/h3-10H2,1-2H3
InChIKeyBPSHCOJOQWMEQF-UHFFFAOYSA-N
XLogP2.27
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-dibutyl-4,5-dihydro-1,3-oxazol-2-amine 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-dibutyl-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of N,N-dibutyl-4,5-dihydro-1,3-oxazol-2-amine (CID 20523755) is N,N-dibutyl-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for N,N-dibutyl-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for N,N-dibutyl-4,5-dihydro-1,3-oxazol-2-amine is CCCCN(CCCC)C1=NCCO1.
What is the InChIKey of N,N-dibutyl-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is BPSHCOJOQWMEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-5-8-13(9-6-4-2)11-12-7-10-14-11/h3-10H2,1-2H3.
What are the key properties of N,N-dibutyl-4,5-dihydro-1,3-oxazol-2-amine?
N,N-dibutyl-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 198.31 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 20523755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).