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

C12H11ClF3N3O — CID 103623971

IUPAC3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCc1nc(CNc2ncc(C(F)(F)F)cc2Cl)oc1C
InChIInChI=1S/C12H11ClF3N3O/c1-6-7(2)20-10(19-6)5-18-11-9(13)3-8(4-17-11)12(14,15)16/h3-4H,5H2,1-2H3,(H,17,18)
InChIKeyCFIJFQWFLKTBQV-UHFFFAOYSA-N
MW305.69 g/mol
LogP3.97
Rot. Bonds3

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

3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 103623971) has the molecular formula C12H11ClF3N3O and a molecular weight of 305.69 g/mol. Its IUPAC name is 3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID103623971
Molecular FormulaC12H11ClF3N3O
Molecular Weight305.69 g/mol
Exact Mass305.05
IUPAC Name3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCc1nc(CNc2ncc(C(F)(F)F)cc2Cl)oc1C
InChIInChI=1S/C12H11ClF3N3O/c1-6-7(2)20-10(19-6)5-18-11-9(13)3-8(4-17-11)12(14,15)16/h3-4H,5H2,1-2H3,(H,17,18)
InChIKeyCFIJFQWFLKTBQV-UHFFFAOYSA-N
XLogP3.97
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.69
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine (CID 103623971) is 3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine is Cc1nc(CNc2ncc(C(F)(F)F)cc2Cl)oc1C.
What is the InChIKey of 3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is CFIJFQWFLKTBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF3N3O/c1-6-7(2)20-10(19-6)5-18-11-9(13)3-8(4-17-11)12(14,15)16/h3-4H,5H2,1-2H3,(H,17,18).
What are the key properties of 3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 305.69 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 103623971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).