(1S)-1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-[6-(1H-pyrazol-4-yl)-2-pyridinyl]ethanamine

C23H19N5O — CID 164915721

IUPAC(1S)-1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-[6-(1H-pyrazol-4-yl)-2-pyridinyl]ethanamine
SMILESN[C@@H](Cc1cccc(-c2cn[nH]c2)n1)c1ccccc1-c1noc2ccccc12
InChIInChI=1S/C23H19N5O/c24-20(12-16-6-5-10-21(27-16)15-13-25-26-14-15)17-7-1-2-8-18(17)23-19-9-3-4-11-22(19)29-28-23/h1-11,13-14,20H,12,24H2,(H,25,26)/t20-/m0/s1
InChIKeyDHDJYQAJLFMWBB-FQEVSTJZSA-N
MW381.44 g/mol
LogP4.52
Rot. Bonds5

About (1S)-1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-[6-(1H-pyrazol-4-yl)-2-pyridinyl]ethanamine

(1S)-1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-[6-(1H-pyrazol-4-yl)-2-pyridinyl]ethanamine (PubChem CID 164915721) has the molecular formula C23H19N5O and a molecular weight of 381.44 g/mol. Its IUPAC name is (1S)-1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-[6-(1H-pyrazol-4-yl)-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-[6-(1H-pyrazol-4-yl)-2-pyridinyl]ethanamine
PubChem CID164915721
Molecular FormulaC23H19N5O
Molecular Weight381.44 g/mol
Exact Mass381.16
IUPAC Name(1S)-1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-[6-(1H-pyrazol-4-yl)-2-pyridinyl]ethanamine
SMILESN[C@@H](Cc1cccc(-c2cn[nH]c2)n1)c1ccccc1-c1noc2ccccc12
InChIInChI=1S/C23H19N5O/c24-20(12-16-6-5-10-21(27-16)15-13-25-26-14-15)17-7-1-2-8-18(17)23-19-9-3-4-11-22(19)29-28-23/h1-11,13-14,20H,12,24H2,(H,25,26)/t20-/m0/s1
InChIKeyDHDJYQAJLFMWBB-FQEVSTJZSA-N
XLogP4.52
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1S)-1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-[6-(1H-pyrazol-4-yl)-2-pyridinyl]ethanamine with MolForge

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Related Compounds

3,5-dimethyl-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,2-oxazole
CID 153521552
5-fluoro-3-[1-[6-(1H-pyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-1,2-benzoxazole
CID 89628094
1-(1,2-benzoxazol-3-yl)-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 92044700
3,5-dimethyl-4-(4-pyridin-4-yl-1~{H}-pyrazol-3-yl)-1,2-oxazole
CID 95857692
3,5-dimethyl-4-(3-phenyl-1H-pyrazolo[4,3-c]pyridin-4-yl)-1,2-oxazole
CID 155553629
5-(4-fluorophenyl)-3-methyl-7-(1H-pyrazol-4-yl)-[1,2]oxazolo[4,5-b]pyridine
CID 134809626
US20240190854, Example 62
CID 164915354
US20240190854, Example 78
CID 164915410
US20240190854, Example 69
CID 164915452
US20240190854, Example 73
CID 164915539
US20240190854, Example 63
CID 164915542
US20240190854, Example 111
CID 164915570

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-[6-(1H-pyrazol-4-yl)-2-pyridinyl]ethanamine?
The IUPAC name of (1S)-1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-[6-(1H-pyrazol-4-yl)-2-pyridinyl]ethanamine (CID 164915721) is (1S)-1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-[6-(1H-pyrazol-4-yl)-2-pyridinyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-[6-(1H-pyrazol-4-yl)-2-pyridinyl]ethanamine?
The canonical SMILES for (1S)-1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-[6-(1H-pyrazol-4-yl)-2-pyridinyl]ethanamine is N[C@@H](Cc1cccc(-c2cn[nH]c2)n1)c1ccccc1-c1noc2ccccc12.
What is the InChIKey of (1S)-1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-[6-(1H-pyrazol-4-yl)-2-pyridinyl]ethanamine?
The InChIKey is DHDJYQAJLFMWBB-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H19N5O/c24-20(12-16-6-5-10-21(27-16)15-13-25-26-14-15)17-7-1-2-8-18(17)23-19-9-3-4-11-22(19)29-28-23/h1-11,13-14,20H,12,24H2,(H,25,26)/t20-/m0/s1.
What are the key properties of (1S)-1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-[6-(1H-pyrazol-4-yl)-2-pyridinyl]ethanamine?
(1S)-1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-[6-(1H-pyrazol-4-yl)-2-pyridinyl]ethanamine has a molecular weight of 381.44 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(1,2-benzoxazol-3-yl)phenyl]-2-[6-(1H-pyrazol-4-yl)-2-pyridinyl]ethanamine is sourced from PubChem (CID 164915721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).