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

C16H11ClF3N3O — CID 71896844

IUPAC3-chloro-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cnc(NCc2ncc(-c3ccccc3)o2)c(Cl)c1
InChIInChI=1S/C16H11ClF3N3O/c17-12-6-11(16(18,19)20)7-22-15(12)23-9-14-21-8-13(24-14)10-4-2-1-3-5-10/h1-8H,9H2,(H,22,23)
InChIKeyCKKLVOMXXAJBOG-UHFFFAOYSA-N
MW353.73 g/mol
LogP5.02
Rot. Bonds4

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

3-chloro-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 71896844) has the molecular formula C16H11ClF3N3O and a molecular weight of 353.73 g/mol. Its IUPAC name is 3-chloro-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID71896844
Molecular FormulaC16H11ClF3N3O
Molecular Weight353.73 g/mol
Exact Mass353.05
IUPAC Name3-chloro-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cnc(NCc2ncc(-c3ccccc3)o2)c(Cl)c1
InChIInChI=1S/C16H11ClF3N3O/c17-12-6-11(16(18,19)20)7-22-15(12)23-9-14-21-8-13(24-14)10-4-2-1-3-5-10/h1-8H,9H2,(H,22,23)
InChIKeyCKKLVOMXXAJBOG-UHFFFAOYSA-N
XLogP5.02
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.73
LogP ≤ 55.02
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-phenyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine (CID 71896844) is 3-chloro-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cnc(NCc2ncc(-c3ccccc3)o2)c(Cl)c1.
What is the InChIKey of 3-chloro-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is CKKLVOMXXAJBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3N3O/c17-12-6-11(16(18,19)20)7-22-15(12)23-9-14-21-8-13(24-14)10-4-2-1-3-5-10/h1-8H,9H2,(H,22,23).
What are the key properties of 3-chloro-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
3-chloro-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 353.73 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 71896844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).