N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide

C23H26N4O3 — CID 4196969

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide
SMILESO=C1NCCN1CCN(CC1CC2C=CC1C2)C(=O)c1ncoc1-c1ccccc1
InChIInChI=1S/C23H26N4O3/c28-22(20-21(30-15-25-20)17-4-2-1-3-5-17)27(11-10-26-9-8-24-23(26)29)14-19-13-16-6-7-18(19)12-16/h1-7,15-16,18-19H,8-14H2,(H,24,29)
InChIKeyNOABYUCHTPXFMS-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.02
Rot. Bonds7

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 4196969) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide
PubChem CID4196969
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide
SMILESO=C1NCCN1CCN(CC1CC2C=CC1C2)C(=O)c1ncoc1-c1ccccc1
InChIInChI=1S/C23H26N4O3/c28-22(20-21(30-15-25-20)17-4-2-1-3-5-17)27(11-10-26-9-8-24-23(26)29)14-19-13-16-6-7-18(19)12-16/h1-7,15-16,18-19H,8-14H2,(H,24,29)
InChIKeyNOABYUCHTPXFMS-UHFFFAOYSA-N
XLogP3.02
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-bicyclo[2.2.1]hept-5-enylmethyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide (CID 4196969) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide is O=C1NCCN1CCN(CC1CC2C=CC1C2)C(=O)c1ncoc1-c1ccccc1.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is NOABYUCHTPXFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c28-22(20-21(30-15-25-20)17-4-2-1-3-5-17)27(11-10-26-9-8-24-23(26)29)14-19-13-16-6-7-18(19)12-16/h1-7,15-16,18-19H,8-14H2,(H,24,29).
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 4196969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).