3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one

C15H17N3O2 — CID 106372206

IUPAC3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESCc1cnc(CNC2CCc3ccccc3NC2=O)o1
InChIInChI=1S/C15H17N3O2/c1-10-8-17-14(20-10)9-16-13-7-6-11-4-2-3-5-12(11)18-15(13)19/h2-5,8,13,16H,6-7,9H2,1H3,(H,18,19)
InChIKeyBJYALWLAWQGWFR-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.03
Rot. Bonds3

About 3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one

3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one (PubChem CID 106372206) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one.

Molecular Properties

Compound Name3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
PubChem CID106372206
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESCc1cnc(CNC2CCc3ccccc3NC2=O)o1
InChIInChI=1S/C15H17N3O2/c1-10-8-17-14(20-10)9-16-13-7-6-11-4-2-3-5-12(11)18-15(13)19/h2-5,8,13,16H,6-7,9H2,1H3,(H,18,19)
InChIKeyBJYALWLAWQGWFR-UHFFFAOYSA-N
XLogP2.03
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one with MolForge

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Related Compounds

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(4R)-4-methyl-N-(1,3-oxazol-5-ylmethyl)-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide
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US9611224, Example 2e
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N-[(1S)-2-(4-fluorophenyl)-1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(methylamino)acetamide
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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The IUPAC name of 3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one (CID 106372206) is 3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one.
What is the SMILES notation for 3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The canonical SMILES for 3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one is Cc1cnc(CNC2CCc3ccccc3NC2=O)o1.
What is the InChIKey of 3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The InChIKey is BJYALWLAWQGWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10-8-17-14(20-10)9-16-13-7-6-11-4-2-3-5-12(11)18-15(13)19/h2-5,8,13,16H,6-7,9H2,1H3,(H,18,19).
What are the key properties of 3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one has a molecular weight of 271.32 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one is sourced from PubChem (CID 106372206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).