5-chloro-N-[2-(4-fluorophenyl)-1-pyridin-2-ylethyl]-1,3-benzoxazol-2-amine

C20H15ClFN3O — CID 10067562

IUPAC5-chloro-N-[2-(4-fluorophenyl)-1-pyridin-2-ylethyl]-1,3-benzoxazol-2-amine
SMILESFc1ccc(CC(Nc2nc3cc(Cl)ccc3o2)c2ccccn2)cc1
InChIInChI=1S/C20H15ClFN3O/c21-14-6-9-19-18(12-14)25-20(26-19)24-17(16-3-1-2-10-23-16)11-13-4-7-15(22)8-5-13/h1-10,12,17H,11H2,(H,24,25)
InChIKeyCWSFARGGACHTLH-UHFFFAOYSA-N
MW367.81 g/mol
LogP5.41
Rot. Bonds5

About 5-chloro-N-[2-(4-fluorophenyl)-1-pyridin-2-ylethyl]-1,3-benzoxazol-2-amine

5-chloro-N-[2-(4-fluorophenyl)-1-pyridin-2-ylethyl]-1,3-benzoxazol-2-amine (PubChem CID 10067562) has the molecular formula C20H15ClFN3O and a molecular weight of 367.81 g/mol. Its IUPAC name is 5-chloro-N-[2-(4-fluorophenyl)-1-pyridin-2-ylethyl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-chloro-N-[2-(4-fluorophenyl)-1-pyridin-2-ylethyl]-1,3-benzoxazol-2-amine
PubChem CID10067562
Molecular FormulaC20H15ClFN3O
Molecular Weight367.81 g/mol
Exact Mass367.09
IUPAC Name5-chloro-N-[2-(4-fluorophenyl)-1-pyridin-2-ylethyl]-1,3-benzoxazol-2-amine
SMILESFc1ccc(CC(Nc2nc3cc(Cl)ccc3o2)c2ccccn2)cc1
InChIInChI=1S/C20H15ClFN3O/c21-14-6-9-19-18(12-14)25-20(26-19)24-17(16-3-1-2-10-23-16)11-13-4-7-15(22)8-5-13/h1-10,12,17H,11H2,(H,24,25)
InChIKeyCWSFARGGACHTLH-UHFFFAOYSA-N
XLogP5.41
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.81
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(4-fluorophenyl)-1-pyridin-2-ylethyl]-1,3-benzoxazol-2-amine?
The IUPAC name of 5-chloro-N-[2-(4-fluorophenyl)-1-pyridin-2-ylethyl]-1,3-benzoxazol-2-amine (CID 10067562) is 5-chloro-N-[2-(4-fluorophenyl)-1-pyridin-2-ylethyl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-chloro-N-[2-(4-fluorophenyl)-1-pyridin-2-ylethyl]-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-chloro-N-[2-(4-fluorophenyl)-1-pyridin-2-ylethyl]-1,3-benzoxazol-2-amine is Fc1ccc(CC(Nc2nc3cc(Cl)ccc3o2)c2ccccn2)cc1.
What is the InChIKey of 5-chloro-N-[2-(4-fluorophenyl)-1-pyridin-2-ylethyl]-1,3-benzoxazol-2-amine?
The InChIKey is CWSFARGGACHTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3O/c21-14-6-9-19-18(12-14)25-20(26-19)24-17(16-3-1-2-10-23-16)11-13-4-7-15(22)8-5-13/h1-10,12,17H,11H2,(H,24,25).
What are the key properties of 5-chloro-N-[2-(4-fluorophenyl)-1-pyridin-2-ylethyl]-1,3-benzoxazol-2-amine?
5-chloro-N-[2-(4-fluorophenyl)-1-pyridin-2-ylethyl]-1,3-benzoxazol-2-amine has a molecular weight of 367.81 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(4-fluorophenyl)-1-pyridin-2-ylethyl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 10067562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).