N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]butan-2-amine

C11H20N2O — CID 61335876

IUPACN-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]butan-2-amine
SMILESCCC(C)NCc1cc(C(C)C)on1
InChIInChI=1S/C11H20N2O/c1-5-9(4)12-7-10-6-11(8(2)3)14-13-10/h6,8-9,12H,5,7H2,1-4H3
InChIKeyWIJFWACQKXRUOB-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.69
Rot. Bonds5

About N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]butan-2-amine

N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]butan-2-amine (PubChem CID 61335876) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]butan-2-amine.

Molecular Properties

Compound NameN-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]butan-2-amine
PubChem CID61335876
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]butan-2-amine
SMILESCCC(C)NCc1cc(C(C)C)on1
InChIInChI=1S/C11H20N2O/c1-5-9(4)12-7-10-6-11(8(2)3)14-13-10/h6,8-9,12H,5,7H2,1-4H3
InChIKeyWIJFWACQKXRUOB-UHFFFAOYSA-N
XLogP2.69
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]butan-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-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]butan-2-amine?
The IUPAC name of N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]butan-2-amine (CID 61335876) is N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]butan-2-amine.
What is the SMILES notation for N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]butan-2-amine?
The canonical SMILES for N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]butan-2-amine is CCC(C)NCc1cc(C(C)C)on1.
What is the InChIKey of N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]butan-2-amine?
The InChIKey is WIJFWACQKXRUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-5-9(4)12-7-10-6-11(8(2)3)14-13-10/h6,8-9,12H,5,7H2,1-4H3.
What are the key properties of N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]butan-2-amine?
N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]butan-2-amine has a molecular weight of 196.29 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]butan-2-amine is sourced from PubChem (CID 61335876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).