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

C21H19N3O — CID 174202789

IUPAC1-[2-(1,2-benzoxazol-3-yl)-6-methylphenyl]-2-pyridin-2-ylethanamine
SMILESCc1cccc(-c2noc3ccccc23)c1C(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
InChIKeyXEYSKJLZTDRBFP-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.44
Rot. Bonds4

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

1-[2-(1,2-benzoxazol-3-yl)-6-methylphenyl]-2-pyridin-2-ylethanamine (PubChem CID 174202789) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[2-(1,2-benzoxazol-3-yl)-6-methylphenyl]-2-pyridin-2-ylethanamine.

Molecular Properties

Compound Name1-[2-(1,2-benzoxazol-3-yl)-6-methylphenyl]-2-pyridin-2-ylethanamine
PubChem CID174202789
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name1-[2-(1,2-benzoxazol-3-yl)-6-methylphenyl]-2-pyridin-2-ylethanamine
SMILESCc1cccc(-c2noc3ccccc23)c1C(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
InChIKeyXEYSKJLZTDRBFP-UHFFFAOYSA-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

(1S)-1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-pyridin-2-ylethanamine
CID 164915454
1-[2-(1,2-benzoxazol-3-yl)-5-methylphenyl]-2-pyridin-2-ylethanamine;hydrochloride
CID 174203870
(1S)-1-[3-(1,2-benzoxazol-3-yl)-4-pyridinyl]-2-pyridin-2-ylethanamine
CID 164915887
(1S)-1-[2-(1,2-benzoxazol-3-yl)-6-fluorophenyl]-2-(6-methyl-2-pyridinyl)ethanamine
CID 164915785
(1S)-1-[2-(1,2-benzoxazol-3-yl)-6-fluorophenyl]-2-(6-methyl-2-pyridinyl)ethanamine;hydrochloride
CID 170943481
1-[2-(1,2-benzoxazol-3-yl)-6-fluorophenyl]-2-(6-methyl-2-pyridinyl)ethanamine;hydrochloride
CID 174205372
(1S)-1-[2-(1,2-benzoxazol-3-yl)-4-bromophenyl]-2-pyridin-2-ylethanamine;hydrochloride
CID 164915731
1-[2-(1,2-benzoxazol-3-yl)-3-bromophenyl]-2-pyridin-2-ylethanamine;hydrochloride
CID 174201724
6-[(2S)-2-amino-2-[3-(1,2-benzoxazol-3-yl)-2-pyridinyl]ethyl]pyridine-2-carbonitrile
CID 164915881
[6-[2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]-2-pyridinyl]carbamic acid
CID 174201473
6-[2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]pyridine-3-carbonitrile;hydrochloride
CID 174201368
1-[2-(1,2-benzoxazol-3-yl)phenyl]ethanamine
CID 15550302

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,2-benzoxazol-3-yl)-6-methylphenyl]-2-pyridin-2-ylethanamine?
The IUPAC name of 1-[2-(1,2-benzoxazol-3-yl)-6-methylphenyl]-2-pyridin-2-ylethanamine (CID 174202789) is 1-[2-(1,2-benzoxazol-3-yl)-6-methylphenyl]-2-pyridin-2-ylethanamine.
What is the SMILES notation for 1-[2-(1,2-benzoxazol-3-yl)-6-methylphenyl]-2-pyridin-2-ylethanamine?
The canonical SMILES for 1-[2-(1,2-benzoxazol-3-yl)-6-methylphenyl]-2-pyridin-2-ylethanamine is Cc1cccc(-c2noc3ccccc23)c1C(N)Cc1ccccn1.
What is the InChIKey of 1-[2-(1,2-benzoxazol-3-yl)-6-methylphenyl]-2-pyridin-2-ylethanamine?
The InChIKey is XEYSKJLZTDRBFP-UHFFFAOYSA-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.
What are the key properties of 1-[2-(1,2-benzoxazol-3-yl)-6-methylphenyl]-2-pyridin-2-ylethanamine?
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 1-[2-(1,2-benzoxazol-3-yl)-6-methylphenyl]-2-pyridin-2-ylethanamine is sourced from PubChem (CID 174202789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).