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

C10H8ClF3N4O — CID 54903147

IUPAC3-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCc1noc(CNc2ncc(C(F)(F)F)cc2Cl)n1
InChIInChI=1S/C10H8ClF3N4O/c1-5-17-8(19-18-5)4-16-9-7(11)2-6(3-15-9)10(12,13)14/h2-3H,4H2,1H3,(H,15,16)
InChIKeyKBJHJYBOHVPNLB-UHFFFAOYSA-N
MW292.65 g/mol
LogP3.06
Rot. Bonds3

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

3-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 54903147) has the molecular formula C10H8ClF3N4O and a molecular weight of 292.65 g/mol. Its IUPAC name is 3-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID54903147
Molecular FormulaC10H8ClF3N4O
Molecular Weight292.65 g/mol
Exact Mass292.03
IUPAC Name3-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCc1noc(CNc2ncc(C(F)(F)F)cc2Cl)n1
InChIInChI=1S/C10H8ClF3N4O/c1-5-17-8(19-18-5)4-16-9-7(11)2-6(3-15-9)10(12,13)14/h2-3H,4H2,1H3,(H,15,16)
InChIKeyKBJHJYBOHVPNLB-UHFFFAOYSA-N
XLogP3.06
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.65
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine (CID 54903147) is 3-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine is Cc1noc(CNc2ncc(C(F)(F)F)cc2Cl)n1.
What is the InChIKey of 3-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is KBJHJYBOHVPNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3N4O/c1-5-17-8(19-18-5)4-16-9-7(11)2-6(3-15-9)10(12,13)14/h2-3H,4H2,1H3,(H,15,16).
What are the key properties of 3-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
3-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 292.65 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 54903147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).