tert-butyl N-[(3R)-3-phenyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-7-yl]carbamate

C19H23N3O3 — CID 135156651

IUPACtert-butyl N-[(3R)-3-phenyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-7-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cnc2c(c1)CN[C@H](c1ccccc1)CO2
InChIInChI=1S/C19H23N3O3/c1-19(2,3)25-18(23)22-15-9-14-10-20-16(12-24-17(14)21-11-15)13-7-5-4-6-8-13/h4-9,11,16,20H,10,12H2,1-3H3,(H,22,23)/t16-/m0/s1
InChIKeyVCCALFKUYQOBPR-INIZCTEOSA-N
MW341.41 g/mol
LogP3.65
Rot. Bonds2

About tert-butyl N-[(3R)-3-phenyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-7-yl]carbamate

tert-butyl N-[(3R)-3-phenyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-7-yl]carbamate (PubChem CID 135156651) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is tert-butyl N-[(3R)-3-phenyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-7-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-3-phenyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-7-yl]carbamate
PubChem CID135156651
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Nametert-butyl N-[(3R)-3-phenyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-7-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cnc2c(c1)CN[C@H](c1ccccc1)CO2
InChIInChI=1S/C19H23N3O3/c1-19(2,3)25-18(23)22-15-9-14-10-20-16(12-24-17(14)21-11-15)13-7-5-4-6-8-13/h4-9,11,16,20H,10,12H2,1-3H3,(H,22,23)/t16-/m0/s1
InChIKeyVCCALFKUYQOBPR-INIZCTEOSA-N
XLogP3.65
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-3-phenyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-7-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-3-phenyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-7-yl]carbamate (CID 135156651) is tert-butyl N-[(3R)-3-phenyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-7-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-3-phenyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-7-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-3-phenyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-7-yl]carbamate is CC(C)(C)OC(=O)Nc1cnc2c(c1)CN[C@H](c1ccccc1)CO2.
What is the InChIKey of tert-butyl N-[(3R)-3-phenyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-7-yl]carbamate?
The InChIKey is VCCALFKUYQOBPR-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-19(2,3)25-18(23)22-15-9-14-10-20-16(12-24-17(14)21-11-15)13-7-5-4-6-8-13/h4-9,11,16,20H,10,12H2,1-3H3,(H,22,23)/t16-/m0/s1.
What are the key properties of tert-butyl N-[(3R)-3-phenyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-7-yl]carbamate?
tert-butyl N-[(3R)-3-phenyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-7-yl]carbamate has a molecular weight of 341.41 g/mol, XLogP of 3.65, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-3-phenyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-7-yl]carbamate is sourced from PubChem (CID 135156651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).