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

C19H28N2O2 — CID 53379751

IUPAC5-cyclopropyl-4-[(2R)-2-methoxypropyl]-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine
SMILESCO[C@H](C)CN1CCOc2cc3c(c(C4CC4)c21)CCNCC3
InChIInChI=1S/C19H28N2O2/c1-13(22-2)12-21-9-10-23-17-11-15-5-7-20-8-6-16(15)18(19(17)21)14-3-4-14/h11,13-14,20H,3-10,12H2,1-2H3/t13-/m1/s1
InChIKeyBXKNNOYTSZXODF-CYBMUJFWSA-N
MW316.45 g/mol
LogP2.49
Rot. Bonds4

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

5-cyclopropyl-4-[(2R)-2-methoxypropyl]-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine (PubChem CID 53379751) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 5-cyclopropyl-4-[(2R)-2-methoxypropyl]-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine.

Molecular Properties

Compound Name5-cyclopropyl-4-[(2R)-2-methoxypropyl]-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine
PubChem CID53379751
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC Name5-cyclopropyl-4-[(2R)-2-methoxypropyl]-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine
SMILESCO[C@H](C)CN1CCOc2cc3c(c(C4CC4)c21)CCNCC3
InChIInChI=1S/C19H28N2O2/c1-13(22-2)12-21-9-10-23-17-11-15-5-7-20-8-6-16(15)18(19(17)21)14-3-4-14/h11,13-14,20H,3-10,12H2,1-2H3/t13-/m1/s1
InChIKeyBXKNNOYTSZXODF-CYBMUJFWSA-N
XLogP2.49
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4-[(2R)-2-methoxypropyl]-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine?
The IUPAC name of 5-cyclopropyl-4-[(2R)-2-methoxypropyl]-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine (CID 53379751) is 5-cyclopropyl-4-[(2R)-2-methoxypropyl]-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-[(2R)-2-methoxypropyl]-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine?
The canonical SMILES for 5-cyclopropyl-4-[(2R)-2-methoxypropyl]-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine is CO[C@H](C)CN1CCOc2cc3c(c(C4CC4)c21)CCNCC3.
What is the InChIKey of 5-cyclopropyl-4-[(2R)-2-methoxypropyl]-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine?
The InChIKey is BXKNNOYTSZXODF-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-13(22-2)12-21-9-10-23-17-11-15-5-7-20-8-6-16(15)18(19(17)21)14-3-4-14/h11,13-14,20H,3-10,12H2,1-2H3/t13-/m1/s1.
What are the key properties of 5-cyclopropyl-4-[(2R)-2-methoxypropyl]-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine?
5-cyclopropyl-4-[(2R)-2-methoxypropyl]-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine has a molecular weight of 316.45 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4-[(2R)-2-methoxypropyl]-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine is sourced from PubChem (CID 53379751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).