2-[3-[(3-cyanophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(6-methyl-4-pyrrol-1-ylcyclohexa-2,4-dien-1-yl)-1,3-oxazole-4-carboxamide

C26H24N6O3 — CID 163458393

IUPAC2-[3-[(3-cyanophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(6-methyl-4-pyrrol-1-ylcyclohexa-2,4-dien-1-yl)-1,3-oxazole-4-carboxamide
SMILESCC1C=C(n2cccc2)C=CC1NC(=O)c1coc(N2CCN(Cc3cccc(C#N)c3)C2=O)n1
InChIInChI=1S/C26H24N6O3/c1-18-13-21(30-9-2-3-10-30)7-8-22(18)28-24(33)23-17-35-25(29-23)32-12-11-31(26(32)34)16-20-6-4-5-19(14-20)15-27/h2-10,13-14,17-18,22H,11-12,16H2,1H3,(H,28,33)
InChIKeyBMLSUHIFCHPQAZ-UHFFFAOYSA-N
MW468.52 g/mol
LogP3.64
Rot. Bonds6

About 2-[3-[(3-cyanophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(6-methyl-4-pyrrol-1-ylcyclohexa-2,4-dien-1-yl)-1,3-oxazole-4-carboxamide

2-[3-[(3-cyanophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(6-methyl-4-pyrrol-1-ylcyclohexa-2,4-dien-1-yl)-1,3-oxazole-4-carboxamide (PubChem CID 163458393) has the molecular formula C26H24N6O3 and a molecular weight of 468.52 g/mol. Its IUPAC name is 2-[3-[(3-cyanophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(6-methyl-4-pyrrol-1-ylcyclohexa-2,4-dien-1-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[3-[(3-cyanophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(6-methyl-4-pyrrol-1-ylcyclohexa-2,4-dien-1-yl)-1,3-oxazole-4-carboxamide
PubChem CID163458393
Molecular FormulaC26H24N6O3
Molecular Weight468.52 g/mol
Exact Mass468.19
IUPAC Name2-[3-[(3-cyanophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(6-methyl-4-pyrrol-1-ylcyclohexa-2,4-dien-1-yl)-1,3-oxazole-4-carboxamide
SMILESCC1C=C(n2cccc2)C=CC1NC(=O)c1coc(N2CCN(Cc3cccc(C#N)c3)C2=O)n1
InChIInChI=1S/C26H24N6O3/c1-18-13-21(30-9-2-3-10-30)7-8-22(18)28-24(33)23-17-35-25(29-23)32-12-11-31(26(32)34)16-20-6-4-5-19(14-20)15-27/h2-10,13-14,17-18,22H,11-12,16H2,1H3,(H,28,33)
InChIKeyBMLSUHIFCHPQAZ-UHFFFAOYSA-N
XLogP3.64
TPSA107.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.52
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-cyanophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(6-methyl-4-pyrrol-1-ylcyclohexa-2,4-dien-1-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[3-[(3-cyanophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(6-methyl-4-pyrrol-1-ylcyclohexa-2,4-dien-1-yl)-1,3-oxazole-4-carboxamide (CID 163458393) is 2-[3-[(3-cyanophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(6-methyl-4-pyrrol-1-ylcyclohexa-2,4-dien-1-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[3-[(3-cyanophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(6-methyl-4-pyrrol-1-ylcyclohexa-2,4-dien-1-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[3-[(3-cyanophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(6-methyl-4-pyrrol-1-ylcyclohexa-2,4-dien-1-yl)-1,3-oxazole-4-carboxamide is CC1C=C(n2cccc2)C=CC1NC(=O)c1coc(N2CCN(Cc3cccc(C#N)c3)C2=O)n1.
What is the InChIKey of 2-[3-[(3-cyanophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(6-methyl-4-pyrrol-1-ylcyclohexa-2,4-dien-1-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is BMLSUHIFCHPQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O3/c1-18-13-21(30-9-2-3-10-30)7-8-22(18)28-24(33)23-17-35-25(29-23)32-12-11-31(26(32)34)16-20-6-4-5-19(14-20)15-27/h2-10,13-14,17-18,22H,11-12,16H2,1H3,(H,28,33).
What are the key properties of 2-[3-[(3-cyanophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(6-methyl-4-pyrrol-1-ylcyclohexa-2,4-dien-1-yl)-1,3-oxazole-4-carboxamide?
2-[3-[(3-cyanophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(6-methyl-4-pyrrol-1-ylcyclohexa-2,4-dien-1-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 468.52 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-cyanophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(6-methyl-4-pyrrol-1-ylcyclohexa-2,4-dien-1-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 163458393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).