methyl 6-[(5R)-2-oxo-1,3-oxazocan-5-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxylate

C18H23NO4 — CID 126581679

IUPACmethyl 6-[(5R)-2-oxo-1,3-oxazocan-5-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxylate
SMILESCOC(=O)C1CCc2cc([C@H]3CCCOC(=O)NC3)ccc2C1
InChIInChI=1S/C18H23NO4/c1-22-17(20)15-7-6-12-9-14(5-4-13(12)10-15)16-3-2-8-23-18(21)19-11-16/h4-5,9,15-16H,2-3,6-8,10-11H2,1H3,(H,19,21)/t15?,16-/m0/s1
InChIKeyBDHOJYJEOWJAPT-LYKKTTPLSA-N
MW317.39 g/mol
LogP2.57
Rot. Bonds2

About methyl 6-[(5R)-2-oxo-1,3-oxazocan-5-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxylate

methyl 6-[(5R)-2-oxo-1,3-oxazocan-5-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxylate (PubChem CID 126581679) has the molecular formula C18H23NO4 and a molecular weight of 317.39 g/mol. Its IUPAC name is methyl 6-[(5R)-2-oxo-1,3-oxazocan-5-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(5R)-2-oxo-1,3-oxazocan-5-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxylate
PubChem CID126581679
Molecular FormulaC18H23NO4
Molecular Weight317.39 g/mol
Exact Mass317.16
IUPAC Namemethyl 6-[(5R)-2-oxo-1,3-oxazocan-5-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxylate
SMILESCOC(=O)C1CCc2cc([C@H]3CCCOC(=O)NC3)ccc2C1
InChIInChI=1S/C18H23NO4/c1-22-17(20)15-7-6-12-9-14(5-4-13(12)10-15)16-3-2-8-23-18(21)19-11-16/h4-5,9,15-16H,2-3,6-8,10-11H2,1H3,(H,19,21)/t15?,16-/m0/s1
InChIKeyBDHOJYJEOWJAPT-LYKKTTPLSA-N
XLogP2.57
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 6-[(5R)-2-oxo-1,3-oxazocan-5-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(5R)-2-oxo-1,3-oxazocan-5-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxylate?
The IUPAC name of methyl 6-[(5R)-2-oxo-1,3-oxazocan-5-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxylate (CID 126581679) is methyl 6-[(5R)-2-oxo-1,3-oxazocan-5-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxylate.
What is the SMILES notation for methyl 6-[(5R)-2-oxo-1,3-oxazocan-5-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxylate?
The canonical SMILES for methyl 6-[(5R)-2-oxo-1,3-oxazocan-5-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxylate is COC(=O)C1CCc2cc([C@H]3CCCOC(=O)NC3)ccc2C1.
What is the InChIKey of methyl 6-[(5R)-2-oxo-1,3-oxazocan-5-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxylate?
The InChIKey is BDHOJYJEOWJAPT-LYKKTTPLSA-N. The full InChI is InChI=1S/C18H23NO4/c1-22-17(20)15-7-6-12-9-14(5-4-13(12)10-15)16-3-2-8-23-18(21)19-11-16/h4-5,9,15-16H,2-3,6-8,10-11H2,1H3,(H,19,21)/t15?,16-/m0/s1.
What are the key properties of methyl 6-[(5R)-2-oxo-1,3-oxazocan-5-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxylate?
methyl 6-[(5R)-2-oxo-1,3-oxazocan-5-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxylate has a molecular weight of 317.39 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(5R)-2-oxo-1,3-oxazocan-5-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxylate is sourced from PubChem (CID 126581679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).