8-(methylamino)-6-phenyl-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one

C14H15N3O2 — CID 23554586

IUPAC8-(methylamino)-6-phenyl-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one
SMILESCNC1C(=O)N(c2ccccc2)CCc2ncoc21
InChIInChI=1S/C14H15N3O2/c1-15-12-13-11(16-9-19-13)7-8-17(14(12)18)10-5-3-2-4-6-10/h2-6,9,12,15H,7-8H2,1H3
InChIKeyRHINKOIBLBENBN-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.52
Rot. Bonds2

About 8-(methylamino)-6-phenyl-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one

8-(methylamino)-6-phenyl-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one (PubChem CID 23554586) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 8-(methylamino)-6-phenyl-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one.

Molecular Properties

Compound Name8-(methylamino)-6-phenyl-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one
PubChem CID23554586
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name8-(methylamino)-6-phenyl-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one
SMILESCNC1C(=O)N(c2ccccc2)CCc2ncoc21
InChIInChI=1S/C14H15N3O2/c1-15-12-13-11(16-9-19-13)7-8-17(14(12)18)10-5-3-2-4-6-10/h2-6,9,12,15H,7-8H2,1H3
InChIKeyRHINKOIBLBENBN-UHFFFAOYSA-N
XLogP1.52
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(methylamino)-6-phenyl-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one?
The IUPAC name of 8-(methylamino)-6-phenyl-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one (CID 23554586) is 8-(methylamino)-6-phenyl-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one.
What is the SMILES notation for 8-(methylamino)-6-phenyl-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one?
The canonical SMILES for 8-(methylamino)-6-phenyl-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one is CNC1C(=O)N(c2ccccc2)CCc2ncoc21.
What is the InChIKey of 8-(methylamino)-6-phenyl-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one?
The InChIKey is RHINKOIBLBENBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-15-12-13-11(16-9-19-13)7-8-17(14(12)18)10-5-3-2-4-6-10/h2-6,9,12,15H,7-8H2,1H3.
What are the key properties of 8-(methylamino)-6-phenyl-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one?
8-(methylamino)-6-phenyl-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one has a molecular weight of 257.29 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(methylamino)-6-phenyl-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one is sourced from PubChem (CID 23554586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).