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

C18H25FN2O — CID 53379747

IUPAC5-cyclopropyl-4-(3-fluoropropyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine
SMILESFCCCN1CCOc2cc3c(c(C4CC4)c21)CCNCC3
InChIInChI=1S/C18H25FN2O/c19-6-1-9-21-10-11-22-16-12-14-4-7-20-8-5-15(14)17(18(16)21)13-2-3-13/h12-13,20H,1-11H2
InChIKeyGRHNEPZUMWOSIL-UHFFFAOYSA-N
MW304.41 g/mol
LogP2.81
Rot. Bonds4

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

5-cyclopropyl-4-(3-fluoropropyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine (PubChem CID 53379747) has the molecular formula C18H25FN2O and a molecular weight of 304.41 g/mol. Its IUPAC name is 5-cyclopropyl-4-(3-fluoropropyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine.

Molecular Properties

Compound Name5-cyclopropyl-4-(3-fluoropropyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine
PubChem CID53379747
Molecular FormulaC18H25FN2O
Molecular Weight304.41 g/mol
Exact Mass304.20
IUPAC Name5-cyclopropyl-4-(3-fluoropropyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine
SMILESFCCCN1CCOc2cc3c(c(C4CC4)c21)CCNCC3
InChIInChI=1S/C18H25FN2O/c19-6-1-9-21-10-11-22-16-12-14-4-7-20-8-5-15(14)17(18(16)21)13-2-3-13/h12-13,20H,1-11H2
InChIKeyGRHNEPZUMWOSIL-UHFFFAOYSA-N
XLogP2.81
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4-(3-fluoropropyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine?
The IUPAC name of 5-cyclopropyl-4-(3-fluoropropyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine (CID 53379747) is 5-cyclopropyl-4-(3-fluoropropyl)-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-(3-fluoropropyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine?
The canonical SMILES for 5-cyclopropyl-4-(3-fluoropropyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine is FCCCN1CCOc2cc3c(c(C4CC4)c21)CCNCC3.
What is the InChIKey of 5-cyclopropyl-4-(3-fluoropropyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine?
The InChIKey is GRHNEPZUMWOSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O/c19-6-1-9-21-10-11-22-16-12-14-4-7-20-8-5-15(14)17(18(16)21)13-2-3-13/h12-13,20H,1-11H2.
What are the key properties of 5-cyclopropyl-4-(3-fluoropropyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine?
5-cyclopropyl-4-(3-fluoropropyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine has a molecular weight of 304.41 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4-(3-fluoropropyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine is sourced from PubChem (CID 53379747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).