N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-fluoro-N-methylpentan-1-amine

C12H21FN2O — CID 100643650

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-fluoro-N-methylpentan-1-amine
SMILESCc1noc(C)c1CN(C)CCCCCF
InChIInChI=1S/C12H21FN2O/c1-10-12(11(2)16-14-10)9-15(3)8-6-4-5-7-13/h4-9H2,1-3H3
InChIKeyFGWMDKHYVPGLRX-UHFFFAOYSA-N
MW228.31 g/mol
LogP2.86
Rot. Bonds7

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-fluoro-N-methylpentan-1-amine

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-fluoro-N-methylpentan-1-amine (PubChem CID 100643650) has the molecular formula C12H21FN2O and a molecular weight of 228.31 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-fluoro-N-methylpentan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-fluoro-N-methylpentan-1-amine
PubChem CID100643650
Molecular FormulaC12H21FN2O
Molecular Weight228.31 g/mol
Exact Mass228.16
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-fluoro-N-methylpentan-1-amine
SMILESCc1noc(C)c1CN(C)CCCCCF
InChIInChI=1S/C12H21FN2O/c1-10-12(11(2)16-14-10)9-15(3)8-6-4-5-7-13/h4-9H2,1-3H3
InChIKeyFGWMDKHYVPGLRX-UHFFFAOYSA-N
XLogP2.86
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-fluoro-N-methylpentan-1-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-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-fluoro-N-methylpentan-1-amine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-fluoro-N-methylpentan-1-amine (CID 100643650) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-fluoro-N-methylpentan-1-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-fluoro-N-methylpentan-1-amine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-fluoro-N-methylpentan-1-amine is Cc1noc(C)c1CN(C)CCCCCF.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-fluoro-N-methylpentan-1-amine?
The InChIKey is FGWMDKHYVPGLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FN2O/c1-10-12(11(2)16-14-10)9-15(3)8-6-4-5-7-13/h4-9H2,1-3H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-fluoro-N-methylpentan-1-amine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-fluoro-N-methylpentan-1-amine has a molecular weight of 228.31 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-fluoro-N-methylpentan-1-amine is sourced from PubChem (CID 100643650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).