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

C11H10F3N3O — CID 103269535

IUPACN-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCc1cnc(CNc2ccc(C(F)(F)F)cn2)o1
InChIInChI=1S/C11H10F3N3O/c1-7-4-17-10(18-7)6-16-9-3-2-8(5-15-9)11(12,13)14/h2-5H,6H2,1H3,(H,15,16)
InChIKeyBJPZMRSZXWRZPY-UHFFFAOYSA-N
MW257.21 g/mol
LogP3.01
Rot. Bonds3

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

N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 103269535) has the molecular formula C11H10F3N3O and a molecular weight of 257.21 g/mol. Its IUPAC name is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID103269535
Molecular FormulaC11H10F3N3O
Molecular Weight257.21 g/mol
Exact Mass257.08
IUPAC NameN-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCc1cnc(CNc2ccc(C(F)(F)F)cn2)o1
InChIInChI=1S/C11H10F3N3O/c1-7-4-17-10(18-7)6-16-9-3-2-8(5-15-9)11(12,13)14/h2-5H,6H2,1H3,(H,15,16)
InChIKeyBJPZMRSZXWRZPY-UHFFFAOYSA-N
XLogP3.01
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine (CID 103269535) is N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine is Cc1cnc(CNc2ccc(C(F)(F)F)cn2)o1.
What is the InChIKey of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is BJPZMRSZXWRZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c1-7-4-17-10(18-7)6-16-9-3-2-8(5-15-9)11(12,13)14/h2-5H,6H2,1H3,(H,15,16).
What are the key properties of N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 257.21 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 103269535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).