(1S)-1-[2-(1,2-benzoxazol-3-yl)-5-methylphenyl]-2-pyridin-2-ylethanamine

C21H19N3O — CID 164915340

IUPAC(1S)-1-[2-(1,2-benzoxazol-3-yl)-5-methylphenyl]-2-pyridin-2-ylethanamine
SMILESCc1ccc(-c2noc3ccccc23)c([C@@H](N)Cc2ccccn2)c1
InChIInChI=1S/C21H19N3O/c1-14-9-10-16(21-17-7-2-3-8-20(17)25-24-21)18(12-14)19(22)13-15-6-4-5-11-23-15/h2-12,19H,13,22H2,1H3/t19-/m0/s1
InChIKeyFEIGWOYFQKZOQA-IBGZPJMESA-N
MW329.40 g/mol
LogP4.44
Rot. Bonds4

About (1S)-1-[2-(1,2-benzoxazol-3-yl)-5-methylphenyl]-2-pyridin-2-ylethanamine

(1S)-1-[2-(1,2-benzoxazol-3-yl)-5-methylphenyl]-2-pyridin-2-ylethanamine (PubChem CID 164915340) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is (1S)-1-[2-(1,2-benzoxazol-3-yl)-5-methylphenyl]-2-pyridin-2-ylethanamine.

Molecular Properties

Compound Name(1S)-1-[2-(1,2-benzoxazol-3-yl)-5-methylphenyl]-2-pyridin-2-ylethanamine
PubChem CID164915340
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name(1S)-1-[2-(1,2-benzoxazol-3-yl)-5-methylphenyl]-2-pyridin-2-ylethanamine
SMILESCc1ccc(-c2noc3ccccc23)c([C@@H](N)Cc2ccccn2)c1
InChIInChI=1S/C21H19N3O/c1-14-9-10-16(21-17-7-2-3-8-20(17)25-24-21)18(12-14)19(22)13-15-6-4-5-11-23-15/h2-12,19H,13,22H2,1H3/t19-/m0/s1
InChIKeyFEIGWOYFQKZOQA-IBGZPJMESA-N
XLogP4.44
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(1,2-benzoxazol-3-yl)-5-methylphenyl]-2-pyridin-2-ylethanamine?
The IUPAC name of (1S)-1-[2-(1,2-benzoxazol-3-yl)-5-methylphenyl]-2-pyridin-2-ylethanamine (CID 164915340) is (1S)-1-[2-(1,2-benzoxazol-3-yl)-5-methylphenyl]-2-pyridin-2-ylethanamine.
What is the SMILES notation for (1S)-1-[2-(1,2-benzoxazol-3-yl)-5-methylphenyl]-2-pyridin-2-ylethanamine?
The canonical SMILES for (1S)-1-[2-(1,2-benzoxazol-3-yl)-5-methylphenyl]-2-pyridin-2-ylethanamine is Cc1ccc(-c2noc3ccccc23)c([C@@H](N)Cc2ccccn2)c1.
What is the InChIKey of (1S)-1-[2-(1,2-benzoxazol-3-yl)-5-methylphenyl]-2-pyridin-2-ylethanamine?
The InChIKey is FEIGWOYFQKZOQA-IBGZPJMESA-N. The full InChI is InChI=1S/C21H19N3O/c1-14-9-10-16(21-17-7-2-3-8-20(17)25-24-21)18(12-14)19(22)13-15-6-4-5-11-23-15/h2-12,19H,13,22H2,1H3/t19-/m0/s1.
What are the key properties of (1S)-1-[2-(1,2-benzoxazol-3-yl)-5-methylphenyl]-2-pyridin-2-ylethanamine?
(1S)-1-[2-(1,2-benzoxazol-3-yl)-5-methylphenyl]-2-pyridin-2-ylethanamine has a molecular weight of 329.40 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(1,2-benzoxazol-3-yl)-5-methylphenyl]-2-pyridin-2-ylethanamine is sourced from PubChem (CID 164915340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).