(1S)-N'-hydroxy-1-(2-oxo-1,3-oxazolidin-3-yl)-2,3-dihydro-1H-indene-4-carboximidamide

C13H15N3O3 — CID 146627730

IUPAC(1S)-N'-hydroxy-1-(2-oxo-1,3-oxazolidin-3-yl)-2,3-dihydro-1H-indene-4-carboximidamide
SMILESN/C(=N\O)c1cccc2c1CC[C@@H]2N1CCOC1=O
InChIInChI=1S/C13H15N3O3/c14-12(15-18)10-3-1-2-9-8(10)4-5-11(9)16-6-7-19-13(16)17/h1-3,11,18H,4-7H2,(H2,14,15)/t11-/m0/s1
InChIKeyCANUBNVFUWPSBU-NSHDSACASA-N
MW261.28 g/mol
LogP1.22
Rot. Bonds2

About (1S)-N'-hydroxy-1-(2-oxo-1,3-oxazolidin-3-yl)-2,3-dihydro-1H-indene-4-carboximidamide

(1S)-N'-hydroxy-1-(2-oxo-1,3-oxazolidin-3-yl)-2,3-dihydro-1H-indene-4-carboximidamide (PubChem CID 146627730) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is (1S)-N'-hydroxy-1-(2-oxo-1,3-oxazolidin-3-yl)-2,3-dihydro-1H-indene-4-carboximidamide.

Molecular Properties

Compound Name(1S)-N'-hydroxy-1-(2-oxo-1,3-oxazolidin-3-yl)-2,3-dihydro-1H-indene-4-carboximidamide
PubChem CID146627730
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name(1S)-N'-hydroxy-1-(2-oxo-1,3-oxazolidin-3-yl)-2,3-dihydro-1H-indene-4-carboximidamide
SMILESN/C(=N\O)c1cccc2c1CC[C@@H]2N1CCOC1=O
InChIInChI=1S/C13H15N3O3/c14-12(15-18)10-3-1-2-9-8(10)4-5-11(9)16-6-7-19-13(16)17/h1-3,11,18H,4-7H2,(H2,14,15)/t11-/m0/s1
InChIKeyCANUBNVFUWPSBU-NSHDSACASA-N
XLogP1.22
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.22
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-N'-hydroxy-1-(2-oxo-1,3-oxazolidin-3-yl)-2,3-dihydro-1H-indene-4-carboximidamide?
The IUPAC name of (1S)-N'-hydroxy-1-(2-oxo-1,3-oxazolidin-3-yl)-2,3-dihydro-1H-indene-4-carboximidamide (CID 146627730) is (1S)-N'-hydroxy-1-(2-oxo-1,3-oxazolidin-3-yl)-2,3-dihydro-1H-indene-4-carboximidamide.
What is the SMILES notation for (1S)-N'-hydroxy-1-(2-oxo-1,3-oxazolidin-3-yl)-2,3-dihydro-1H-indene-4-carboximidamide?
The canonical SMILES for (1S)-N'-hydroxy-1-(2-oxo-1,3-oxazolidin-3-yl)-2,3-dihydro-1H-indene-4-carboximidamide is N/C(=N\O)c1cccc2c1CC[C@@H]2N1CCOC1=O.
What is the InChIKey of (1S)-N'-hydroxy-1-(2-oxo-1,3-oxazolidin-3-yl)-2,3-dihydro-1H-indene-4-carboximidamide?
The InChIKey is CANUBNVFUWPSBU-NSHDSACASA-N. The full InChI is InChI=1S/C13H15N3O3/c14-12(15-18)10-3-1-2-9-8(10)4-5-11(9)16-6-7-19-13(16)17/h1-3,11,18H,4-7H2,(H2,14,15)/t11-/m0/s1.
What are the key properties of (1S)-N'-hydroxy-1-(2-oxo-1,3-oxazolidin-3-yl)-2,3-dihydro-1H-indene-4-carboximidamide?
(1S)-N'-hydroxy-1-(2-oxo-1,3-oxazolidin-3-yl)-2,3-dihydro-1H-indene-4-carboximidamide has a molecular weight of 261.28 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N'-hydroxy-1-(2-oxo-1,3-oxazolidin-3-yl)-2,3-dihydro-1H-indene-4-carboximidamide is sourced from PubChem (CID 146627730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).