5-[[(2R)-4-benzyl-1,4-oxazepan-2-yl]methyl]furo[3,2-c]pyridin-4-one

C20H22N2O3 — CID 100761442

IUPAC5-[[(2R)-4-benzyl-1,4-oxazepan-2-yl]methyl]furo[3,2-c]pyridin-4-one
SMILESO=c1c2ccoc2ccn1C[C@H]1CN(Cc2ccccc2)CCCO1
InChIInChI=1S/C20H22N2O3/c23-20-18-8-12-25-19(18)7-10-22(20)15-17-14-21(9-4-11-24-17)13-16-5-2-1-3-6-16/h1-3,5-8,10,12,17H,4,9,11,13-15H2/t17-/m1/s1
InChIKeyLBEAAAVUGDHWEH-QGZVFWFLSA-N
MW338.41 g/mol
LogP2.89
Rot. Bonds4

About 5-[[(2R)-4-benzyl-1,4-oxazepan-2-yl]methyl]furo[3,2-c]pyridin-4-one

5-[[(2R)-4-benzyl-1,4-oxazepan-2-yl]methyl]furo[3,2-c]pyridin-4-one (PubChem CID 100761442) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 5-[[(2R)-4-benzyl-1,4-oxazepan-2-yl]methyl]furo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name5-[[(2R)-4-benzyl-1,4-oxazepan-2-yl]methyl]furo[3,2-c]pyridin-4-one
PubChem CID100761442
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name5-[[(2R)-4-benzyl-1,4-oxazepan-2-yl]methyl]furo[3,2-c]pyridin-4-one
SMILESO=c1c2ccoc2ccn1C[C@H]1CN(Cc2ccccc2)CCCO1
InChIInChI=1S/C20H22N2O3/c23-20-18-8-12-25-19(18)7-10-22(20)15-17-14-21(9-4-11-24-17)13-16-5-2-1-3-6-16/h1-3,5-8,10,12,17H,4,9,11,13-15H2/t17-/m1/s1
InChIKeyLBEAAAVUGDHWEH-QGZVFWFLSA-N
XLogP2.89
TPSA47.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[[(2R)-4-benzyl-1,4-oxazepan-2-yl]methyl]furo[3,2-c]pyridin-4-one with MolForge

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Related Compounds

1-[(4-benzyl-1,4-oxazepan-2-yl)methyl]-4-methyl-2-oxopyridine-3-carboxylic acid
CID 170513126
2-amino-3-(4-benzyl-1,4-oxazepan-2-yl)propanoic acid
CID 106491179
N-[[(2R)-4-benzyl-1,4-oxazepan-2-yl]methyl]methanesulfonamide
CID 124623968
N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-3-oxocyclobutane-1-carboxamide
CID 129402077
N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-2-(methylcarbamoylamino)acetamide
CID 124623954
(4-benzylmorpholin-2-yl)methanol;4-benzyl-1,4-oxazepane
CID 66663131
3-[(4-benzyl-1,4-oxazepan-2-yl)methyl]-5-methyl-5-(2-methylphenyl)imidazolidine-2,4-dione
CID 166211904
N-[[(2S)-4-benzyl-1,4-oxazepan-2-yl]methyl]-2-cyclopropylacetamide
CID 129479095
(2R)-4-benzyl-2-[(4-nitroimidazol-1-yl)methyl]-1,4-oxazepane
CID 124880747
4-benzyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,4-oxazepane
CID 135111107
3-[[(2R)-2-(morpholin-4-ylmethyl)-1,4-oxazepan-4-yl]methyl]benzoic acid
CID 99944117
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-4-benzyl-1,4-oxazepan-2-yl]methyl]furo[3,2-c]pyridin-4-one?
The IUPAC name of 5-[[(2R)-4-benzyl-1,4-oxazepan-2-yl]methyl]furo[3,2-c]pyridin-4-one (CID 100761442) is 5-[[(2R)-4-benzyl-1,4-oxazepan-2-yl]methyl]furo[3,2-c]pyridin-4-one.
What is the SMILES notation for 5-[[(2R)-4-benzyl-1,4-oxazepan-2-yl]methyl]furo[3,2-c]pyridin-4-one?
The canonical SMILES for 5-[[(2R)-4-benzyl-1,4-oxazepan-2-yl]methyl]furo[3,2-c]pyridin-4-one is O=c1c2ccoc2ccn1C[C@H]1CN(Cc2ccccc2)CCCO1.
What is the InChIKey of 5-[[(2R)-4-benzyl-1,4-oxazepan-2-yl]methyl]furo[3,2-c]pyridin-4-one?
The InChIKey is LBEAAAVUGDHWEH-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H22N2O3/c23-20-18-8-12-25-19(18)7-10-22(20)15-17-14-21(9-4-11-24-17)13-16-5-2-1-3-6-16/h1-3,5-8,10,12,17H,4,9,11,13-15H2/t17-/m1/s1.
What are the key properties of 5-[[(2R)-4-benzyl-1,4-oxazepan-2-yl]methyl]furo[3,2-c]pyridin-4-one?
5-[[(2R)-4-benzyl-1,4-oxazepan-2-yl]methyl]furo[3,2-c]pyridin-4-one has a molecular weight of 338.41 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-4-benzyl-1,4-oxazepan-2-yl]methyl]furo[3,2-c]pyridin-4-one is sourced from PubChem (CID 100761442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).