5-cyclopropyl-4-[(2,5-difluorophenyl)methyl]-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine

C22H24F2N2O — CID 53379846

IUPAC5-cyclopropyl-4-[(2,5-difluorophenyl)methyl]-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine
SMILESFc1ccc(F)c(CN2CCOc3cc4c(c(C5CC5)c32)CCNCC4)c1
InChIInChI=1S/C22H24F2N2O/c23-17-3-4-19(24)16(11-17)13-26-9-10-27-20-12-15-5-7-25-8-6-18(15)21(22(20)26)14-1-2-14/h3-4,11-12,14,25H,1-2,5-10,13H2
InChIKeySSWWPDBSBLFANF-UHFFFAOYSA-N
MW370.44 g/mol
LogP3.93
Rot. Bonds3

About 5-cyclopropyl-4-[(2,5-difluorophenyl)methyl]-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine

5-cyclopropyl-4-[(2,5-difluorophenyl)methyl]-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine (PubChem CID 53379846) has the molecular formula C22H24F2N2O and a molecular weight of 370.44 g/mol. Its IUPAC name is 5-cyclopropyl-4-[(2,5-difluorophenyl)methyl]-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine.

Molecular Properties

Compound Name5-cyclopropyl-4-[(2,5-difluorophenyl)methyl]-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine
PubChem CID53379846
Molecular FormulaC22H24F2N2O
Molecular Weight370.44 g/mol
Exact Mass370.19
IUPAC Name5-cyclopropyl-4-[(2,5-difluorophenyl)methyl]-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine
SMILESFc1ccc(F)c(CN2CCOc3cc4c(c(C5CC5)c32)CCNCC4)c1
InChIInChI=1S/C22H24F2N2O/c23-17-3-4-19(24)16(11-17)13-26-9-10-27-20-12-15-5-7-25-8-6-18(15)21(22(20)26)14-1-2-14/h3-4,11-12,14,25H,1-2,5-10,13H2
InChIKeySSWWPDBSBLFANF-UHFFFAOYSA-N
XLogP3.93
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4-[(2,5-difluorophenyl)methyl]-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine?
The IUPAC name of 5-cyclopropyl-4-[(2,5-difluorophenyl)methyl]-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine (CID 53379846) is 5-cyclopropyl-4-[(2,5-difluorophenyl)methyl]-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine.
What is the SMILES notation for 5-cyclopropyl-4-[(2,5-difluorophenyl)methyl]-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine?
The canonical SMILES for 5-cyclopropyl-4-[(2,5-difluorophenyl)methyl]-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine is Fc1ccc(F)c(CN2CCOc3cc4c(c(C5CC5)c32)CCNCC4)c1.
What is the InChIKey of 5-cyclopropyl-4-[(2,5-difluorophenyl)methyl]-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine?
The InChIKey is SSWWPDBSBLFANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N2O/c23-17-3-4-19(24)16(11-17)13-26-9-10-27-20-12-15-5-7-25-8-6-18(15)21(22(20)26)14-1-2-14/h3-4,11-12,14,25H,1-2,5-10,13H2.
What are the key properties of 5-cyclopropyl-4-[(2,5-difluorophenyl)methyl]-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine?
5-cyclopropyl-4-[(2,5-difluorophenyl)methyl]-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine has a molecular weight of 370.44 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4-[(2,5-difluorophenyl)methyl]-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine is sourced from PubChem (CID 53379846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).