3-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-(trifluoromethyl)pyridin-2-amine

C14H15ClF3N3O — CID 133347628

IUPAC3-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCc1noc(C)c1CCCNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H15ClF3N3O/c1-8-11(9(2)22-21-8)4-3-5-19-13-12(15)6-10(7-20-13)14(16,17)18/h6-7H,3-5H2,1-2H3,(H,19,20)
InChIKeyRMRUTEZSJRGBCC-UHFFFAOYSA-N
MW333.74 g/mol
LogP4.40
Rot. Bonds5

About 3-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-(trifluoromethyl)pyridin-2-amine

3-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 133347628) has the molecular formula C14H15ClF3N3O and a molecular weight of 333.74 g/mol. Its IUPAC name is 3-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID133347628
Molecular FormulaC14H15ClF3N3O
Molecular Weight333.74 g/mol
Exact Mass333.09
IUPAC Name3-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCc1noc(C)c1CCCNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H15ClF3N3O/c1-8-11(9(2)22-21-8)4-3-5-19-13-12(15)6-10(7-20-13)14(16,17)18/h6-7H,3-5H2,1-2H3,(H,19,20)
InChIKeyRMRUTEZSJRGBCC-UHFFFAOYSA-N
XLogP4.40
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.74
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-(trifluoromethyl)pyridin-2-amine (CID 133347628) is 3-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-(trifluoromethyl)pyridin-2-amine is Cc1noc(C)c1CCCNc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is RMRUTEZSJRGBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF3N3O/c1-8-11(9(2)22-21-8)4-3-5-19-13-12(15)6-10(7-20-13)14(16,17)18/h6-7H,3-5H2,1-2H3,(H,19,20).
What are the key properties of 3-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-(trifluoromethyl)pyridin-2-amine?
3-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 333.74 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 133347628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).