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

C13H14F3N3O — CID 60503777

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(trifluoromethyl)pyridin-2-amine
SMILESCc1noc(C)c1CN(C)c1ncccc1C(F)(F)F
InChIInChI=1S/C13H14F3N3O/c1-8-10(9(2)20-18-8)7-19(3)12-11(13(14,15)16)5-4-6-17-12/h4-6H,7H2,1-3H3
InChIKeyVNJBDNJXKUBJJD-UHFFFAOYSA-N
MW285.27 g/mol
LogP3.34
Rot. Bonds3

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

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 60503777) has the molecular formula C13H14F3N3O and a molecular weight of 285.27 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(trifluoromethyl)pyridin-2-amine
PubChem CID60503777
Molecular FormulaC13H14F3N3O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(trifluoromethyl)pyridin-2-amine
SMILESCc1noc(C)c1CN(C)c1ncccc1C(F)(F)F
InChIInChI=1S/C13H14F3N3O/c1-8-10(9(2)20-18-8)7-19(3)12-11(13(14,15)16)5-4-6-17-12/h4-6H,7H2,1-3H3
InChIKeyVNJBDNJXKUBJJD-UHFFFAOYSA-N
XLogP3.34
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(trifluoromethyl)pyridin-2-amine (CID 60503777) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(trifluoromethyl)pyridin-2-amine is Cc1noc(C)c1CN(C)c1ncccc1C(F)(F)F.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is VNJBDNJXKUBJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O/c1-8-10(9(2)20-18-8)7-19(3)12-11(13(14,15)16)5-4-6-17-12/h4-6H,7H2,1-3H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(trifluoromethyl)pyridin-2-amine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 285.27 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 60503777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).