N-[(4R)-2-[2-(1H-imidazol-5-yl)ethyl]-3-oxo-1,2-oxazolidin-4-yl]-2,3-dimethoxybenzamide

C17H20N4O5 — CID 118708735

IUPACN-[(4R)-2-[2-(1H-imidazol-5-yl)ethyl]-3-oxo-1,2-oxazolidin-4-yl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)N[C@@H]2CON(CCc3cnc[nH]3)C2=O)c1OC
InChIInChI=1S/C17H20N4O5/c1-24-14-5-3-4-12(15(14)25-2)16(22)20-13-9-26-21(17(13)23)7-6-11-8-18-10-19-11/h3-5,8,10,13H,6-7,9H2,1-2H3,(H,18,19)(H,20,22)/t13-/m1/s1
InChIKeyLRAKQNRFUDNDSK-CYBMUJFWSA-N
MW360.37 g/mol
LogP0.54
Rot. Bonds7

About N-[(4R)-2-[2-(1H-imidazol-5-yl)ethyl]-3-oxo-1,2-oxazolidin-4-yl]-2,3-dimethoxybenzamide

N-[(4R)-2-[2-(1H-imidazol-5-yl)ethyl]-3-oxo-1,2-oxazolidin-4-yl]-2,3-dimethoxybenzamide (PubChem CID 118708735) has the molecular formula C17H20N4O5 and a molecular weight of 360.37 g/mol. Its IUPAC name is N-[(4R)-2-[2-(1H-imidazol-5-yl)ethyl]-3-oxo-1,2-oxazolidin-4-yl]-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(4R)-2-[2-(1H-imidazol-5-yl)ethyl]-3-oxo-1,2-oxazolidin-4-yl]-2,3-dimethoxybenzamide
PubChem CID118708735
Molecular FormulaC17H20N4O5
Molecular Weight360.37 g/mol
Exact Mass360.14
IUPAC NameN-[(4R)-2-[2-(1H-imidazol-5-yl)ethyl]-3-oxo-1,2-oxazolidin-4-yl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)N[C@@H]2CON(CCc3cnc[nH]3)C2=O)c1OC
InChIInChI=1S/C17H20N4O5/c1-24-14-5-3-4-12(15(14)25-2)16(22)20-13-9-26-21(17(13)23)7-6-11-8-18-10-19-11/h3-5,8,10,13H,6-7,9H2,1-2H3,(H,18,19)(H,20,22)/t13-/m1/s1
InChIKeyLRAKQNRFUDNDSK-CYBMUJFWSA-N
XLogP0.54
TPSA105.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4R)-2-[2-(1H-imidazol-5-yl)ethyl]-3-oxo-1,2-oxazolidin-4-yl]-2,3-dimethoxybenzamide?
The IUPAC name of N-[(4R)-2-[2-(1H-imidazol-5-yl)ethyl]-3-oxo-1,2-oxazolidin-4-yl]-2,3-dimethoxybenzamide (CID 118708735) is N-[(4R)-2-[2-(1H-imidazol-5-yl)ethyl]-3-oxo-1,2-oxazolidin-4-yl]-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[(4R)-2-[2-(1H-imidazol-5-yl)ethyl]-3-oxo-1,2-oxazolidin-4-yl]-2,3-dimethoxybenzamide?
The canonical SMILES for N-[(4R)-2-[2-(1H-imidazol-5-yl)ethyl]-3-oxo-1,2-oxazolidin-4-yl]-2,3-dimethoxybenzamide is COc1cccc(C(=O)N[C@@H]2CON(CCc3cnc[nH]3)C2=O)c1OC.
What is the InChIKey of N-[(4R)-2-[2-(1H-imidazol-5-yl)ethyl]-3-oxo-1,2-oxazolidin-4-yl]-2,3-dimethoxybenzamide?
The InChIKey is LRAKQNRFUDNDSK-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N4O5/c1-24-14-5-3-4-12(15(14)25-2)16(22)20-13-9-26-21(17(13)23)7-6-11-8-18-10-19-11/h3-5,8,10,13H,6-7,9H2,1-2H3,(H,18,19)(H,20,22)/t13-/m1/s1.
What are the key properties of N-[(4R)-2-[2-(1H-imidazol-5-yl)ethyl]-3-oxo-1,2-oxazolidin-4-yl]-2,3-dimethoxybenzamide?
N-[(4R)-2-[2-(1H-imidazol-5-yl)ethyl]-3-oxo-1,2-oxazolidin-4-yl]-2,3-dimethoxybenzamide has a molecular weight of 360.37 g/mol, XLogP of 0.54, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-2-[2-(1H-imidazol-5-yl)ethyl]-3-oxo-1,2-oxazolidin-4-yl]-2,3-dimethoxybenzamide is sourced from PubChem (CID 118708735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).