(2R)-2-[[5-(2-chlorophenyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]oxy]-2-phenylethanamine

C20H16ClN3O2 — CID 155534824

IUPAC(2R)-2-[[5-(2-chlorophenyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]oxy]-2-phenylethanamine
SMILESNC[C@H](Oc1noc2ncc(-c3ccccc3Cl)cc12)c1ccccc1
InChIInChI=1S/C20H16ClN3O2/c21-17-9-5-4-8-15(17)14-10-16-19(23-12-14)26-24-20(16)25-18(11-22)13-6-2-1-3-7-13/h1-10,12,18H,11,22H2/t18-/m0/s1
InChIKeyVGOVVJRVKIMXAH-SFHVURJKSA-N
MW365.82 g/mol
LogP4.62
Rot. Bonds5

About (2R)-2-[[5-(2-chlorophenyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]oxy]-2-phenylethanamine

(2R)-2-[[5-(2-chlorophenyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]oxy]-2-phenylethanamine (PubChem CID 155534824) has the molecular formula C20H16ClN3O2 and a molecular weight of 365.82 g/mol. Its IUPAC name is (2R)-2-[[5-(2-chlorophenyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]oxy]-2-phenylethanamine.

Molecular Properties

Compound Name(2R)-2-[[5-(2-chlorophenyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]oxy]-2-phenylethanamine
PubChem CID155534824
Molecular FormulaC20H16ClN3O2
Molecular Weight365.82 g/mol
Exact Mass365.09
IUPAC Name(2R)-2-[[5-(2-chlorophenyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]oxy]-2-phenylethanamine
SMILESNC[C@H](Oc1noc2ncc(-c3ccccc3Cl)cc12)c1ccccc1
InChIInChI=1S/C20H16ClN3O2/c21-17-9-5-4-8-15(17)14-10-16-19(23-12-14)26-24-20(16)25-18(11-22)13-6-2-1-3-7-13/h1-10,12,18H,11,22H2/t18-/m0/s1
InChIKeyVGOVVJRVKIMXAH-SFHVURJKSA-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 (2R)-2-[[5-(2-chlorophenyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]oxy]-2-phenylethanamine?
The IUPAC name of (2R)-2-[[5-(2-chlorophenyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]oxy]-2-phenylethanamine (CID 155534824) is (2R)-2-[[5-(2-chlorophenyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]oxy]-2-phenylethanamine.
What is the SMILES notation for (2R)-2-[[5-(2-chlorophenyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]oxy]-2-phenylethanamine?
The canonical SMILES for (2R)-2-[[5-(2-chlorophenyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]oxy]-2-phenylethanamine is NC[C@H](Oc1noc2ncc(-c3ccccc3Cl)cc12)c1ccccc1.
What is the InChIKey of (2R)-2-[[5-(2-chlorophenyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]oxy]-2-phenylethanamine?
The InChIKey is VGOVVJRVKIMXAH-SFHVURJKSA-N. The full InChI is InChI=1S/C20H16ClN3O2/c21-17-9-5-4-8-15(17)14-10-16-19(23-12-14)26-24-20(16)25-18(11-22)13-6-2-1-3-7-13/h1-10,12,18H,11,22H2/t18-/m0/s1.
What are the key properties of (2R)-2-[[5-(2-chlorophenyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]oxy]-2-phenylethanamine?
(2R)-2-[[5-(2-chlorophenyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]oxy]-2-phenylethanamine 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 (2R)-2-[[5-(2-chlorophenyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]oxy]-2-phenylethanamine is sourced from PubChem (CID 155534824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).