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

C11H9ClF3N3O — CID 103718692

IUPAC3-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCc1cnc(CNc2ncc(C(F)(F)F)cc2Cl)o1
InChIInChI=1S/C11H9ClF3N3O/c1-6-3-16-9(19-6)5-18-10-8(12)2-7(4-17-10)11(13,14)15/h2-4H,5H2,1H3,(H,17,18)
InChIKeyYAUYLXRFSPTWRM-UHFFFAOYSA-N
MW291.66 g/mol
LogP3.66
Rot. Bonds3

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

3-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 103718692) has the molecular formula C11H9ClF3N3O and a molecular weight of 291.66 g/mol. Its IUPAC name is 3-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID103718692
Molecular FormulaC11H9ClF3N3O
Molecular Weight291.66 g/mol
Exact Mass291.04
IUPAC Name3-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCc1cnc(CNc2ncc(C(F)(F)F)cc2Cl)o1
InChIInChI=1S/C11H9ClF3N3O/c1-6-3-16-9(19-6)5-18-10-8(12)2-7(4-17-10)11(13,14)15/h2-4H,5H2,1H3,(H,17,18)
InChIKeyYAUYLXRFSPTWRM-UHFFFAOYSA-N
XLogP3.66
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.66
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine (CID 103718692) is 3-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine is Cc1cnc(CNc2ncc(C(F)(F)F)cc2Cl)o1.
What is the InChIKey of 3-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is YAUYLXRFSPTWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3N3O/c1-6-3-16-9(19-6)5-18-10-8(12)2-7(4-17-10)11(13,14)15/h2-4H,5H2,1H3,(H,17,18).
What are the key properties of 3-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
3-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 291.66 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 103718692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).