2-[(4S)-6-(5-fluoro-2-pyridinyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamide

C19H15FN4O2 — CID 57344608

IUPAC2-[(4S)-6-(5-fluoro-2-pyridinyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamide
SMILESCc1noc2c1-c1ccccc1C(c1ccc(F)cn1)=N[C@H]2CC(N)=O
InChIInChI=1S/C19H15FN4O2/c1-10-17-12-4-2-3-5-13(12)18(14-7-6-11(20)9-22-14)23-15(8-16(21)25)19(17)26-24-10/h2-7,9,15H,8H2,1H3,(H2,21,25)/t15-/m0/s1
InChIKeyUNZNZWLDJMPMMF-HNNXBMFYSA-N
MW350.35 g/mol
LogP2.95
Rot. Bonds3

About 2-[(4S)-6-(5-fluoro-2-pyridinyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamide

2-[(4S)-6-(5-fluoro-2-pyridinyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamide (PubChem CID 57344608) has the molecular formula C19H15FN4O2 and a molecular weight of 350.35 g/mol. Its IUPAC name is 2-[(4S)-6-(5-fluoro-2-pyridinyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamide.

Molecular Properties

Compound Name2-[(4S)-6-(5-fluoro-2-pyridinyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamide
PubChem CID57344608
Molecular FormulaC19H15FN4O2
Molecular Weight350.35 g/mol
Exact Mass350.12
IUPAC Name2-[(4S)-6-(5-fluoro-2-pyridinyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamide
SMILESCc1noc2c1-c1ccccc1C(c1ccc(F)cn1)=N[C@H]2CC(N)=O
InChIInChI=1S/C19H15FN4O2/c1-10-17-12-4-2-3-5-13(12)18(14-7-6-11(20)9-22-14)23-15(8-16(21)25)19(17)26-24-10/h2-7,9,15H,8H2,1H3,(H2,21,25)/t15-/m0/s1
InChIKeyUNZNZWLDJMPMMF-HNNXBMFYSA-N
XLogP2.95
TPSA94.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-6-(5-fluoro-2-pyridinyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamide?
The IUPAC name of 2-[(4S)-6-(5-fluoro-2-pyridinyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamide (CID 57344608) is 2-[(4S)-6-(5-fluoro-2-pyridinyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamide.
What is the SMILES notation for 2-[(4S)-6-(5-fluoro-2-pyridinyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamide?
The canonical SMILES for 2-[(4S)-6-(5-fluoro-2-pyridinyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamide is Cc1noc2c1-c1ccccc1C(c1ccc(F)cn1)=N[C@H]2CC(N)=O.
What is the InChIKey of 2-[(4S)-6-(5-fluoro-2-pyridinyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamide?
The InChIKey is UNZNZWLDJMPMMF-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H15FN4O2/c1-10-17-12-4-2-3-5-13(12)18(14-7-6-11(20)9-22-14)23-15(8-16(21)25)19(17)26-24-10/h2-7,9,15H,8H2,1H3,(H2,21,25)/t15-/m0/s1.
What are the key properties of 2-[(4S)-6-(5-fluoro-2-pyridinyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamide?
2-[(4S)-6-(5-fluoro-2-pyridinyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamide has a molecular weight of 350.35 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-6-(5-fluoro-2-pyridinyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamide is sourced from PubChem (CID 57344608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).