[6-[(2S)-2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]-2-pyridinyl]-morpholin-4-ylmethanone

C25H24N4O3 — CID 164915375

IUPAC[6-[(2S)-2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]-2-pyridinyl]-morpholin-4-ylmethanone
SMILESN[C@@H](Cc1cccc(C(=O)N2CCOCC2)n1)c1ccccc1-c1noc2ccccc12
InChIInChI=1S/C25H24N4O3/c26-21(16-17-6-5-10-22(27-17)25(30)29-12-14-31-15-13-29)18-7-1-2-8-19(18)24-20-9-3-4-11-23(20)32-28-24/h1-11,21H,12-16,26H2/t21-/m0/s1
InChIKeyFQLKJBDXANYRQD-NRFANRHFSA-N
MW428.49 g/mol
LogP3.60
Rot. Bonds5

About [6-[(2S)-2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]-2-pyridinyl]-morpholin-4-ylmethanone

[6-[(2S)-2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]-2-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 164915375) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is [6-[(2S)-2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]-2-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-[(2S)-2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]-2-pyridinyl]-morpholin-4-ylmethanone
PubChem CID164915375
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name[6-[(2S)-2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]-2-pyridinyl]-morpholin-4-ylmethanone
SMILESN[C@@H](Cc1cccc(C(=O)N2CCOCC2)n1)c1ccccc1-c1noc2ccccc12
InChIInChI=1S/C25H24N4O3/c26-21(16-17-6-5-10-22(27-17)25(30)29-12-14-31-15-13-29)18-7-1-2-8-19(18)24-20-9-3-4-11-23(20)32-28-24/h1-11,21H,12-16,26H2/t21-/m0/s1
InChIKeyFQLKJBDXANYRQD-NRFANRHFSA-N
XLogP3.60
TPSA94.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-[(2S)-2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]-2-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [6-[(2S)-2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]-2-pyridinyl]-morpholin-4-ylmethanone (CID 164915375) is [6-[(2S)-2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]-2-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-[(2S)-2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]-2-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-[(2S)-2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]-2-pyridinyl]-morpholin-4-ylmethanone is N[C@@H](Cc1cccc(C(=O)N2CCOCC2)n1)c1ccccc1-c1noc2ccccc12.
What is the InChIKey of [6-[(2S)-2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]-2-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is FQLKJBDXANYRQD-NRFANRHFSA-N. The full InChI is InChI=1S/C25H24N4O3/c26-21(16-17-6-5-10-22(27-17)25(30)29-12-14-31-15-13-29)18-7-1-2-8-19(18)24-20-9-3-4-11-23(20)32-28-24/h1-11,21H,12-16,26H2/t21-/m0/s1.
What are the key properties of [6-[(2S)-2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]-2-pyridinyl]-morpholin-4-ylmethanone?
[6-[(2S)-2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]-2-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 428.49 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2S)-2-amino-2-[2-(1,2-benzoxazol-3-yl)phenyl]ethyl]-2-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 164915375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).