5-chloro-3-fluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-amine

C10H9ClFN3O — CID 79728759

IUPAC5-chloro-3-fluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-amine
SMILESCc1cc(CNc2ncc(Cl)cc2F)no1
InChIInChI=1S/C10H9ClFN3O/c1-6-2-8(15-16-6)5-14-10-9(12)3-7(11)4-13-10/h2-4H,5H2,1H3,(H,13,14)
InChIKeyQXGMRWOAMLASFZ-UHFFFAOYSA-N
MW241.65 g/mol
LogP2.78
Rot. Bonds3

About 5-chloro-3-fluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-amine

5-chloro-3-fluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-amine (PubChem CID 79728759) has the molecular formula C10H9ClFN3O and a molecular weight of 241.65 g/mol. Its IUPAC name is 5-chloro-3-fluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-fluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-amine
PubChem CID79728759
Molecular FormulaC10H9ClFN3O
Molecular Weight241.65 g/mol
Exact Mass241.04
IUPAC Name5-chloro-3-fluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-amine
SMILESCc1cc(CNc2ncc(Cl)cc2F)no1
InChIInChI=1S/C10H9ClFN3O/c1-6-2-8(15-16-6)5-14-10-9(12)3-7(11)4-13-10/h2-4H,5H2,1H3,(H,13,14)
InChIKeyQXGMRWOAMLASFZ-UHFFFAOYSA-N
XLogP2.78
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.65
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-3-fluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-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 5-chloro-3-fluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-3-fluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-amine (CID 79728759) is 5-chloro-3-fluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-3-fluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-3-fluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-amine is Cc1cc(CNc2ncc(Cl)cc2F)no1.
What is the InChIKey of 5-chloro-3-fluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-amine?
The InChIKey is QXGMRWOAMLASFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3O/c1-6-2-8(15-16-6)5-14-10-9(12)3-7(11)4-13-10/h2-4H,5H2,1H3,(H,13,14).
What are the key properties of 5-chloro-3-fluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-amine?
5-chloro-3-fluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-amine has a molecular weight of 241.65 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 79728759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).