1-(naphthalen-1-ylmethyl)-2-(2-oxo-1,3-oxazolidin-3-yl)indole-6-carboximidamide

C23H20N4O2 — CID 146459868

IUPAC1-(naphthalen-1-ylmethyl)-2-(2-oxo-1,3-oxazolidin-3-yl)indole-6-carboximidamide
SMILES[H]/N=C(\N)c1ccc2cc(N3CCOC3=O)n(Cc3cccc4ccccc34)c2c1
InChIInChI=1S/C23H20N4O2/c24-22(25)17-9-8-16-13-21(26-10-11-29-23(26)28)27(20(16)12-17)14-18-6-3-5-15-4-1-2-7-19(15)18/h1-9,12-13H,10-11,14H2,(H3,24,25)
InChIKeyYNDUDFOJJQNMBR-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.08
Rot. Bonds4

About 1-(naphthalen-1-ylmethyl)-2-(2-oxo-1,3-oxazolidin-3-yl)indole-6-carboximidamide

1-(naphthalen-1-ylmethyl)-2-(2-oxo-1,3-oxazolidin-3-yl)indole-6-carboximidamide (PubChem CID 146459868) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 1-(naphthalen-1-ylmethyl)-2-(2-oxo-1,3-oxazolidin-3-yl)indole-6-carboximidamide.

Molecular Properties

Compound Name1-(naphthalen-1-ylmethyl)-2-(2-oxo-1,3-oxazolidin-3-yl)indole-6-carboximidamide
PubChem CID146459868
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name1-(naphthalen-1-ylmethyl)-2-(2-oxo-1,3-oxazolidin-3-yl)indole-6-carboximidamide
SMILES[H]/N=C(\N)c1ccc2cc(N3CCOC3=O)n(Cc3cccc4ccccc34)c2c1
InChIInChI=1S/C23H20N4O2/c24-22(25)17-9-8-16-13-21(26-10-11-29-23(26)28)27(20(16)12-17)14-18-6-3-5-15-4-1-2-7-19(15)18/h1-9,12-13H,10-11,14H2,(H3,24,25)
InChIKeyYNDUDFOJJQNMBR-UHFFFAOYSA-N
XLogP4.08
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(naphthalen-1-ylmethyl)-2-(2-oxo-1,3-oxazolidin-3-yl)indole-6-carboximidamide?
The IUPAC name of 1-(naphthalen-1-ylmethyl)-2-(2-oxo-1,3-oxazolidin-3-yl)indole-6-carboximidamide (CID 146459868) is 1-(naphthalen-1-ylmethyl)-2-(2-oxo-1,3-oxazolidin-3-yl)indole-6-carboximidamide.
What is the SMILES notation for 1-(naphthalen-1-ylmethyl)-2-(2-oxo-1,3-oxazolidin-3-yl)indole-6-carboximidamide?
The canonical SMILES for 1-(naphthalen-1-ylmethyl)-2-(2-oxo-1,3-oxazolidin-3-yl)indole-6-carboximidamide is [H]/N=C(\N)c1ccc2cc(N3CCOC3=O)n(Cc3cccc4ccccc34)c2c1.
What is the InChIKey of 1-(naphthalen-1-ylmethyl)-2-(2-oxo-1,3-oxazolidin-3-yl)indole-6-carboximidamide?
The InChIKey is YNDUDFOJJQNMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c24-22(25)17-9-8-16-13-21(26-10-11-29-23(26)28)27(20(16)12-17)14-18-6-3-5-15-4-1-2-7-19(15)18/h1-9,12-13H,10-11,14H2,(H3,24,25).
What are the key properties of 1-(naphthalen-1-ylmethyl)-2-(2-oxo-1,3-oxazolidin-3-yl)indole-6-carboximidamide?
1-(naphthalen-1-ylmethyl)-2-(2-oxo-1,3-oxazolidin-3-yl)indole-6-carboximidamide has a molecular weight of 384.44 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-1-ylmethyl)-2-(2-oxo-1,3-oxazolidin-3-yl)indole-6-carboximidamide is sourced from PubChem (CID 146459868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).