N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-5-phenyl-1,3-oxazol-2-amine

C29H20ClF4N3O — CID 16743760

IUPACN-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-5-phenyl-1,3-oxazol-2-amine
SMILESFc1cc(C(F)(F)F)cc(C(Cc2ccccc2)(Nc2ncc(-c3ccccc3)o2)c2ccc(Cl)cn2)c1
InChIInChI=1S/C29H20ClF4N3O/c30-23-11-12-26(35-17-23)28(16-19-7-3-1-4-8-19,21-13-22(29(32,33)34)15-24(31)14-21)37-27-36-18-25(38-27)20-9-5-2-6-10-20/h1-15,17-18H,16H2,(H,36,37)
InChIKeyRJINQVSXROWLNW-UHFFFAOYSA-N
MW537.94 g/mol
LogP8.15
Rot. Bonds7

About N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-5-phenyl-1,3-oxazol-2-amine

N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-5-phenyl-1,3-oxazol-2-amine (PubChem CID 16743760) has the molecular formula C29H20ClF4N3O and a molecular weight of 537.94 g/mol. Its IUPAC name is N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-5-phenyl-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-5-phenyl-1,3-oxazol-2-amine
PubChem CID16743760
Molecular FormulaC29H20ClF4N3O
Molecular Weight537.94 g/mol
Exact Mass537.12
IUPAC NameN-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-5-phenyl-1,3-oxazol-2-amine
SMILESFc1cc(C(F)(F)F)cc(C(Cc2ccccc2)(Nc2ncc(-c3ccccc3)o2)c2ccc(Cl)cn2)c1
InChIInChI=1S/C29H20ClF4N3O/c30-23-11-12-26(35-17-23)28(16-19-7-3-1-4-8-19,21-13-22(29(32,33)34)15-24(31)14-21)37-27-36-18-25(38-27)20-9-5-2-6-10-20/h1-15,17-18H,16H2,(H,36,37)
InChIKeyRJINQVSXROWLNW-UHFFFAOYSA-N
XLogP8.15
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.94
LogP ≤ 58.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-5-phenyl-1,3-oxazol-2-amine?
The IUPAC name of N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-5-phenyl-1,3-oxazol-2-amine (CID 16743760) is N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-5-phenyl-1,3-oxazol-2-amine.
What is the SMILES notation for N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-5-phenyl-1,3-oxazol-2-amine?
The canonical SMILES for N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-5-phenyl-1,3-oxazol-2-amine is Fc1cc(C(F)(F)F)cc(C(Cc2ccccc2)(Nc2ncc(-c3ccccc3)o2)c2ccc(Cl)cn2)c1.
What is the InChIKey of N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-5-phenyl-1,3-oxazol-2-amine?
The InChIKey is RJINQVSXROWLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20ClF4N3O/c30-23-11-12-26(35-17-23)28(16-19-7-3-1-4-8-19,21-13-22(29(32,33)34)15-24(31)14-21)37-27-36-18-25(38-27)20-9-5-2-6-10-20/h1-15,17-18H,16H2,(H,36,37).
What are the key properties of N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-5-phenyl-1,3-oxazol-2-amine?
N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-5-phenyl-1,3-oxazol-2-amine has a molecular weight of 537.94 g/mol, XLogP of 8.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-5-phenyl-1,3-oxazol-2-amine is sourced from PubChem (CID 16743760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).