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

C12H12F3N3O — CID 103436406

IUPACN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCCc1cnc(CNc2ccc(C(F)(F)F)cn2)o1
InChIInChI=1S/C12H12F3N3O/c1-2-9-6-18-11(19-9)7-17-10-4-3-8(5-16-10)12(13,14)15/h3-6H,2,7H2,1H3,(H,16,17)
InChIKeyOSNDNTYOEJUFSO-UHFFFAOYSA-N
MW271.24 g/mol
LogP3.26
Rot. Bonds4

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

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 103436406) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID103436406
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCCc1cnc(CNc2ccc(C(F)(F)F)cn2)o1
InChIInChI=1S/C12H12F3N3O/c1-2-9-6-18-11(19-9)7-17-10-4-3-8(5-16-10)12(13,14)15/h3-6H,2,7H2,1H3,(H,16,17)
InChIKeyOSNDNTYOEJUFSO-UHFFFAOYSA-N
XLogP3.26
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine (CID 103436406) is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine is CCc1cnc(CNc2ccc(C(F)(F)F)cn2)o1.
What is the InChIKey of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is OSNDNTYOEJUFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c1-2-9-6-18-11(19-9)7-17-10-4-3-8(5-16-10)12(13,14)15/h3-6H,2,7H2,1H3,(H,16,17).
What are the key properties of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 271.24 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 103436406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).