3-chloro-N-(1,2-oxazol-5-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine

C10H7ClF3N3O — CID 113357636

IUPAC3-chloro-N-(1,2-oxazol-5-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cnc(NCc2ccno2)c(Cl)c1
InChIInChI=1S/C10H7ClF3N3O/c11-8-3-6(10(12,13)14)4-15-9(8)16-5-7-1-2-17-18-7/h1-4H,5H2,(H,15,16)
InChIKeyDEWSWNVHTWOVDK-UHFFFAOYSA-N
MW277.63 g/mol
LogP3.35
Rot. Bonds3

About 3-chloro-N-(1,2-oxazol-5-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine

3-chloro-N-(1,2-oxazol-5-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 113357636) has the molecular formula C10H7ClF3N3O and a molecular weight of 277.63 g/mol. Its IUPAC name is 3-chloro-N-(1,2-oxazol-5-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(1,2-oxazol-5-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine
PubChem CID113357636
Molecular FormulaC10H7ClF3N3O
Molecular Weight277.63 g/mol
Exact Mass277.02
IUPAC Name3-chloro-N-(1,2-oxazol-5-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cnc(NCc2ccno2)c(Cl)c1
InChIInChI=1S/C10H7ClF3N3O/c11-8-3-6(10(12,13)14)4-15-9(8)16-5-7-1-2-17-18-7/h1-4H,5H2,(H,15,16)
InChIKeyDEWSWNVHTWOVDK-UHFFFAOYSA-N
XLogP3.35
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.63
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1,2-oxazol-5-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-(1,2-oxazol-5-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine (CID 113357636) is 3-chloro-N-(1,2-oxazol-5-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-(1,2-oxazol-5-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-(1,2-oxazol-5-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cnc(NCc2ccno2)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(1,2-oxazol-5-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is DEWSWNVHTWOVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF3N3O/c11-8-3-6(10(12,13)14)4-15-9(8)16-5-7-1-2-17-18-7/h1-4H,5H2,(H,15,16).
What are the key properties of 3-chloro-N-(1,2-oxazol-5-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine?
3-chloro-N-(1,2-oxazol-5-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 277.63 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1,2-oxazol-5-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 113357636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).