N,N-dimethyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine

C9H16N2O — CID 126550901

IUPACN,N-dimethyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine
SMILESCC(C)c1cc(CN(C)C)no1
InChIInChI=1S/C9H16N2O/c1-7(2)9-5-8(10-12-9)6-11(3)4/h5,7H,6H2,1-4H3
InChIKeyGOKHNTGNUKYVFK-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.86
Rot. Bonds3

About N,N-dimethyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine

N,N-dimethyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine (PubChem CID 126550901) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N,N-dimethyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine
PubChem CID126550901
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN,N-dimethyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine
SMILESCC(C)c1cc(CN(C)C)no1
InChIInChI=1S/C9H16N2O/c1-7(2)9-5-8(10-12-9)6-11(3)4/h5,7H,6H2,1-4H3
InChIKeyGOKHNTGNUKYVFK-UHFFFAOYSA-N
XLogP1.86
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-dimethyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine 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-dimethyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine (CID 126550901) is N,N-dimethyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine is CC(C)c1cc(CN(C)C)no1.
What is the InChIKey of N,N-dimethyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine?
The InChIKey is GOKHNTGNUKYVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-7(2)9-5-8(10-12-9)6-11(3)4/h5,7H,6H2,1-4H3.
What are the key properties of N,N-dimethyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine?
N,N-dimethyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine has a molecular weight of 168.24 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(5-propan-2-yl-1,2-oxazol-3-yl)methanamine is sourced from PubChem (CID 126550901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).