N-[3-(1,3-oxazol-5-yl)phenyl]-2-oxo-1,7a-dihydrobenzimidazole-5-carboxamide

C17H12N4O3 — CID 169489706

IUPACN-[3-(1,3-oxazol-5-yl)phenyl]-2-oxo-1,7a-dihydrobenzimidazole-5-carboxamide
SMILESO=C1N=C2C=C(C(=O)Nc3cccc(-c4cnco4)c3)C=CC2N1
InChIInChI=1S/C17H12N4O3/c22-16(11-4-5-13-14(7-11)21-17(23)20-13)19-12-3-1-2-10(6-12)15-8-18-9-24-15/h1-9,13H,(H,19,22)(H,20,23)
InChIKeyRJUWGHITDRXIHC-UHFFFAOYSA-N
MW320.31 g/mol
LogP2.31
Rot. Bonds3

About N-[3-(1,3-oxazol-5-yl)phenyl]-2-oxo-1,7a-dihydrobenzimidazole-5-carboxamide

N-[3-(1,3-oxazol-5-yl)phenyl]-2-oxo-1,7a-dihydrobenzimidazole-5-carboxamide (PubChem CID 169489706) has the molecular formula C17H12N4O3 and a molecular weight of 320.31 g/mol. Its IUPAC name is N-[3-(1,3-oxazol-5-yl)phenyl]-2-oxo-1,7a-dihydrobenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(1,3-oxazol-5-yl)phenyl]-2-oxo-1,7a-dihydrobenzimidazole-5-carboxamide
PubChem CID169489706
Molecular FormulaC17H12N4O3
Molecular Weight320.31 g/mol
Exact Mass320.09
IUPAC NameN-[3-(1,3-oxazol-5-yl)phenyl]-2-oxo-1,7a-dihydrobenzimidazole-5-carboxamide
SMILESO=C1N=C2C=C(C(=O)Nc3cccc(-c4cnco4)c3)C=CC2N1
InChIInChI=1S/C17H12N4O3/c22-16(11-4-5-13-14(7-11)21-17(23)20-13)19-12-3-1-2-10(6-12)15-8-18-9-24-15/h1-9,13H,(H,19,22)(H,20,23)
InChIKeyRJUWGHITDRXIHC-UHFFFAOYSA-N
XLogP2.31
TPSA96.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-oxazol-5-yl)phenyl]-2-oxo-1,7a-dihydrobenzimidazole-5-carboxamide?
The IUPAC name of N-[3-(1,3-oxazol-5-yl)phenyl]-2-oxo-1,7a-dihydrobenzimidazole-5-carboxamide (CID 169489706) is N-[3-(1,3-oxazol-5-yl)phenyl]-2-oxo-1,7a-dihydrobenzimidazole-5-carboxamide.
What is the SMILES notation for N-[3-(1,3-oxazol-5-yl)phenyl]-2-oxo-1,7a-dihydrobenzimidazole-5-carboxamide?
The canonical SMILES for N-[3-(1,3-oxazol-5-yl)phenyl]-2-oxo-1,7a-dihydrobenzimidazole-5-carboxamide is O=C1N=C2C=C(C(=O)Nc3cccc(-c4cnco4)c3)C=CC2N1.
What is the InChIKey of N-[3-(1,3-oxazol-5-yl)phenyl]-2-oxo-1,7a-dihydrobenzimidazole-5-carboxamide?
The InChIKey is RJUWGHITDRXIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O3/c22-16(11-4-5-13-14(7-11)21-17(23)20-13)19-12-3-1-2-10(6-12)15-8-18-9-24-15/h1-9,13H,(H,19,22)(H,20,23).
What are the key properties of N-[3-(1,3-oxazol-5-yl)phenyl]-2-oxo-1,7a-dihydrobenzimidazole-5-carboxamide?
N-[3-(1,3-oxazol-5-yl)phenyl]-2-oxo-1,7a-dihydrobenzimidazole-5-carboxamide has a molecular weight of 320.31 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-oxazol-5-yl)phenyl]-2-oxo-1,7a-dihydrobenzimidazole-5-carboxamide is sourced from PubChem (CID 169489706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).