2-[[5-(2-chlorophenyl)-1,2-benzoxazol-3-yl]oxy]-2-pyridin-2-ylethanamine

C20H16ClN3O2 — CID 155532313

IUPAC2-[[5-(2-chlorophenyl)-1,2-benzoxazol-3-yl]oxy]-2-pyridin-2-ylethanamine
SMILESNCC(Oc1noc2ccc(-c3ccccc3Cl)cc12)c1ccccn1
InChIInChI=1S/C20H16ClN3O2/c21-16-6-2-1-5-14(16)13-8-9-18-15(11-13)20(24-26-18)25-19(12-22)17-7-3-4-10-23-17/h1-11,19H,12,22H2
InChIKeyYYWLDHVFBDQOSB-UHFFFAOYSA-N
MW365.82 g/mol
LogP4.62
Rot. Bonds5

About 2-[[5-(2-chlorophenyl)-1,2-benzoxazol-3-yl]oxy]-2-pyridin-2-ylethanamine

2-[[5-(2-chlorophenyl)-1,2-benzoxazol-3-yl]oxy]-2-pyridin-2-ylethanamine (PubChem CID 155532313) has the molecular formula C20H16ClN3O2 and a molecular weight of 365.82 g/mol. Its IUPAC name is 2-[[5-(2-chlorophenyl)-1,2-benzoxazol-3-yl]oxy]-2-pyridin-2-ylethanamine.

Molecular Properties

Compound Name2-[[5-(2-chlorophenyl)-1,2-benzoxazol-3-yl]oxy]-2-pyridin-2-ylethanamine
PubChem CID155532313
Molecular FormulaC20H16ClN3O2
Molecular Weight365.82 g/mol
Exact Mass365.09
IUPAC Name2-[[5-(2-chlorophenyl)-1,2-benzoxazol-3-yl]oxy]-2-pyridin-2-ylethanamine
SMILESNCC(Oc1noc2ccc(-c3ccccc3Cl)cc12)c1ccccn1
InChIInChI=1S/C20H16ClN3O2/c21-16-6-2-1-5-14(16)13-8-9-18-15(11-13)20(24-26-18)25-19(12-22)17-7-3-4-10-23-17/h1-11,19H,12,22H2
InChIKeyYYWLDHVFBDQOSB-UHFFFAOYSA-N
XLogP4.62
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-chlorophenyl)-1,2-benzoxazol-3-yl]oxy]-2-pyridin-2-ylethanamine?
The IUPAC name of 2-[[5-(2-chlorophenyl)-1,2-benzoxazol-3-yl]oxy]-2-pyridin-2-ylethanamine (CID 155532313) is 2-[[5-(2-chlorophenyl)-1,2-benzoxazol-3-yl]oxy]-2-pyridin-2-ylethanamine.
What is the SMILES notation for 2-[[5-(2-chlorophenyl)-1,2-benzoxazol-3-yl]oxy]-2-pyridin-2-ylethanamine?
The canonical SMILES for 2-[[5-(2-chlorophenyl)-1,2-benzoxazol-3-yl]oxy]-2-pyridin-2-ylethanamine is NCC(Oc1noc2ccc(-c3ccccc3Cl)cc12)c1ccccn1.
What is the InChIKey of 2-[[5-(2-chlorophenyl)-1,2-benzoxazol-3-yl]oxy]-2-pyridin-2-ylethanamine?
The InChIKey is YYWLDHVFBDQOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O2/c21-16-6-2-1-5-14(16)13-8-9-18-15(11-13)20(24-26-18)25-19(12-22)17-7-3-4-10-23-17/h1-11,19H,12,22H2.
What are the key properties of 2-[[5-(2-chlorophenyl)-1,2-benzoxazol-3-yl]oxy]-2-pyridin-2-ylethanamine?
2-[[5-(2-chlorophenyl)-1,2-benzoxazol-3-yl]oxy]-2-pyridin-2-ylethanamine has a molecular weight of 365.82 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-chlorophenyl)-1,2-benzoxazol-3-yl]oxy]-2-pyridin-2-ylethanamine is sourced from PubChem (CID 155532313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).