(3S)-1-[8-[(3S)-3-methylmorpholine-4-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl]-3-phenylpentan-1-one

C24H30N2O4 — CID 118946059

IUPAC(3S)-1-[8-[(3S)-3-methylmorpholine-4-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl]-3-phenylpentan-1-one
SMILESCC[C@@H](CC(=O)c1cc(C(=O)N2CCOC[C@@H]2C)c2n1CCOC2)c1ccccc1
InChIInChI=1S/C24H30N2O4/c1-3-18(19-7-5-4-6-8-19)13-23(27)21-14-20(22-16-30-12-10-26(21)22)24(28)25-9-11-29-15-17(25)2/h4-8,14,17-18H,3,9-13,15-16H2,1-2H3/t17-,18-/m0/s1
InChIKeyFNNDCLIYPLVYIM-ROUUACIJSA-N
MW410.51 g/mol
LogP3.65
Rot. Bonds6

About (3S)-1-[8-[(3S)-3-methylmorpholine-4-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl]-3-phenylpentan-1-one

(3S)-1-[8-[(3S)-3-methylmorpholine-4-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl]-3-phenylpentan-1-one (PubChem CID 118946059) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is (3S)-1-[8-[(3S)-3-methylmorpholine-4-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl]-3-phenylpentan-1-one.

Molecular Properties

Compound Name(3S)-1-[8-[(3S)-3-methylmorpholine-4-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl]-3-phenylpentan-1-one
PubChem CID118946059
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name(3S)-1-[8-[(3S)-3-methylmorpholine-4-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl]-3-phenylpentan-1-one
SMILESCC[C@@H](CC(=O)c1cc(C(=O)N2CCOC[C@@H]2C)c2n1CCOC2)c1ccccc1
InChIInChI=1S/C24H30N2O4/c1-3-18(19-7-5-4-6-8-19)13-23(27)21-14-20(22-16-30-12-10-26(21)22)24(28)25-9-11-29-15-17(25)2/h4-8,14,17-18H,3,9-13,15-16H2,1-2H3/t17-,18-/m0/s1
InChIKeyFNNDCLIYPLVYIM-ROUUACIJSA-N
XLogP3.65
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3S)-1-[8-[(3S)-3-methylmorpholine-4-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl]-3-phenylpentan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[8-[(3S)-3-methylmorpholine-4-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl]-3-phenylpentan-1-one?
The IUPAC name of (3S)-1-[8-[(3S)-3-methylmorpholine-4-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl]-3-phenylpentan-1-one (CID 118946059) is (3S)-1-[8-[(3S)-3-methylmorpholine-4-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl]-3-phenylpentan-1-one.
What is the SMILES notation for (3S)-1-[8-[(3S)-3-methylmorpholine-4-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl]-3-phenylpentan-1-one?
The canonical SMILES for (3S)-1-[8-[(3S)-3-methylmorpholine-4-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl]-3-phenylpentan-1-one is CC[C@@H](CC(=O)c1cc(C(=O)N2CCOC[C@@H]2C)c2n1CCOC2)c1ccccc1.
What is the InChIKey of (3S)-1-[8-[(3S)-3-methylmorpholine-4-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl]-3-phenylpentan-1-one?
The InChIKey is FNNDCLIYPLVYIM-ROUUACIJSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-3-18(19-7-5-4-6-8-19)13-23(27)21-14-20(22-16-30-12-10-26(21)22)24(28)25-9-11-29-15-17(25)2/h4-8,14,17-18H,3,9-13,15-16H2,1-2H3/t17-,18-/m0/s1.
What are the key properties of (3S)-1-[8-[(3S)-3-methylmorpholine-4-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl]-3-phenylpentan-1-one?
(3S)-1-[8-[(3S)-3-methylmorpholine-4-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl]-3-phenylpentan-1-one has a molecular weight of 410.51 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[8-[(3S)-3-methylmorpholine-4-carbonyl]-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazin-6-yl]-3-phenylpentan-1-one is sourced from PubChem (CID 118946059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).