N-[2-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide

C18H20N2O3 — CID 71869091

IUPACN-[2-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCc1ccc(N2CCOC2=O)cc1NC(=O)C1CC2C=CC1C2
InChIInChI=1S/C18H20N2O3/c1-11-2-5-14(20-6-7-23-18(20)22)10-16(11)19-17(21)15-9-12-3-4-13(15)8-12/h2-5,10,12-13,15H,6-9H2,1H3,(H,19,21)
InChIKeyWIXAYLYONJFMAP-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.10
Rot. Bonds3

About N-[2-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide

N-[2-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 71869091) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[2-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID71869091
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[2-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCc1ccc(N2CCOC2=O)cc1NC(=O)C1CC2C=CC1C2
InChIInChI=1S/C18H20N2O3/c1-11-2-5-14(20-6-7-23-18(20)22)10-16(11)19-17(21)15-9-12-3-4-13(15)8-12/h2-5,10,12-13,15H,6-9H2,1H3,(H,19,21)
InChIKeyWIXAYLYONJFMAP-UHFFFAOYSA-N
XLogP3.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of N-[2-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 71869091) is N-[2-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for N-[2-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for N-[2-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide is Cc1ccc(N2CCOC2=O)cc1NC(=O)C1CC2C=CC1C2.
What is the InChIKey of N-[2-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is WIXAYLYONJFMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-11-2-5-14(20-6-7-23-18(20)22)10-16(11)19-17(21)15-9-12-3-4-13(15)8-12/h2-5,10,12-13,15H,6-9H2,1H3,(H,19,21).
What are the key properties of N-[2-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide?
N-[2-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 71869091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).