(1S)-1-[2-(1,2-benzoxazol-3-yl)-6-methylphenyl]-2-pyridin-2-ylethanamine

C21H19N3O — CID 164915333

IUPAC(1S)-1-[2-(1,2-benzoxazol-3-yl)-6-methylphenyl]-2-pyridin-2-ylethanamine
SMILESCc1cccc(-c2noc3ccccc23)c1[C@@H](N)Cc1ccccn1
InChIInChI=1S/C21H19N3O/c1-14-7-6-10-17(21-16-9-2-3-11-19(16)25-24-21)20(14)18(22)13-15-8-4-5-12-23-15/h2-12,18H,13,22H2,1H3/t18-/m0/s1
InChIKeyXEYSKJLZTDRBFP-SFHVURJKSA-N
MW329.40 g/mol
LogP4.44
Rot. Bonds4

About (1S)-1-[2-(1,2-benzoxazol-3-yl)-6-methylphenyl]-2-pyridin-2-ylethanamine

(1S)-1-[2-(1,2-benzoxazol-3-yl)-6-methylphenyl]-2-pyridin-2-ylethanamine (PubChem CID 164915333) 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)-6-methylphenyl]-2-pyridin-2-ylethanamine.

Molecular Properties

Compound Name(1S)-1-[2-(1,2-benzoxazol-3-yl)-6-methylphenyl]-2-pyridin-2-ylethanamine
PubChem CID164915333
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name(1S)-1-[2-(1,2-benzoxazol-3-yl)-6-methylphenyl]-2-pyridin-2-ylethanamine
SMILESCc1cccc(-c2noc3ccccc23)c1[C@@H](N)Cc1ccccn1
InChIInChI=1S/C21H19N3O/c1-14-7-6-10-17(21-16-9-2-3-11-19(16)25-24-21)20(14)18(22)13-15-8-4-5-12-23-15/h2-12,18H,13,22H2,1H3/t18-/m0/s1
InChIKeyXEYSKJLZTDRBFP-SFHVURJKSA-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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Related Compounds

CID 141745660
CID 141745660
CID 24971417
CID 24971417
CID 24971419
CID 24971419
CID 11525664
CID 11525664
CID 13078389
CID 13078389
CID 46880294
CID 46880294
CID 71515497
CID 71515497
CID 71544317
CID 71544317
CID 141736086
CID 141736086
CID 141736087
CID 141736087
CID 141736089
CID 141736089
CID 141736090
CID 141736090

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(1,2-benzoxazol-3-yl)-6-methylphenyl]-2-pyridin-2-ylethanamine?
The IUPAC name of (1S)-1-[2-(1,2-benzoxazol-3-yl)-6-methylphenyl]-2-pyridin-2-ylethanamine (CID 164915333) is (1S)-1-[2-(1,2-benzoxazol-3-yl)-6-methylphenyl]-2-pyridin-2-ylethanamine.
What is the SMILES notation for (1S)-1-[2-(1,2-benzoxazol-3-yl)-6-methylphenyl]-2-pyridin-2-ylethanamine?
The canonical SMILES for (1S)-1-[2-(1,2-benzoxazol-3-yl)-6-methylphenyl]-2-pyridin-2-ylethanamine is Cc1cccc(-c2noc3ccccc23)c1[C@@H](N)Cc1ccccn1.
What is the InChIKey of (1S)-1-[2-(1,2-benzoxazol-3-yl)-6-methylphenyl]-2-pyridin-2-ylethanamine?
The InChIKey is XEYSKJLZTDRBFP-SFHVURJKSA-N. The full InChI is InChI=1S/C21H19N3O/c1-14-7-6-10-17(21-16-9-2-3-11-19(16)25-24-21)20(14)18(22)13-15-8-4-5-12-23-15/h2-12,18H,13,22H2,1H3/t18-/m0/s1.
What are the key properties of (1S)-1-[2-(1,2-benzoxazol-3-yl)-6-methylphenyl]-2-pyridin-2-ylethanamine?
(1S)-1-[2-(1,2-benzoxazol-3-yl)-6-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)-6-methylphenyl]-2-pyridin-2-ylethanamine is sourced from PubChem (CID 164915333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).