3-benzyl-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-imidazole-4-carboxamide

C18H14N4O4 — CID 112522725

IUPAC3-benzyl-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-imidazole-4-carboxamide
SMILESO=C(Nc1cccc2[nH]c(=O)oc12)c1c[nH]c(=O)n1Cc1ccccc1
InChIInChI=1S/C18H14N4O4/c23-16(20-12-7-4-8-13-15(12)26-18(25)21-13)14-9-19-17(24)22(14)10-11-5-2-1-3-6-11/h1-9H,10H2,(H,19,24)(H,20,23)(H,21,25)
InChIKeyFJXLRANJYBRFFC-UHFFFAOYSA-N
MW350.33 g/mol
LogP1.91
Rot. Bonds4

About 3-benzyl-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-imidazole-4-carboxamide

3-benzyl-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-imidazole-4-carboxamide (PubChem CID 112522725) has the molecular formula C18H14N4O4 and a molecular weight of 350.33 g/mol. Its IUPAC name is 3-benzyl-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name3-benzyl-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-imidazole-4-carboxamide
PubChem CID112522725
Molecular FormulaC18H14N4O4
Molecular Weight350.33 g/mol
Exact Mass350.10
IUPAC Name3-benzyl-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-imidazole-4-carboxamide
SMILESO=C(Nc1cccc2[nH]c(=O)oc12)c1c[nH]c(=O)n1Cc1ccccc1
InChIInChI=1S/C18H14N4O4/c23-16(20-12-7-4-8-13-15(12)26-18(25)21-13)14-9-19-17(24)22(14)10-11-5-2-1-3-6-11/h1-9H,10H2,(H,19,24)(H,20,23)(H,21,25)
InChIKeyFJXLRANJYBRFFC-UHFFFAOYSA-N
XLogP1.91
TPSA112.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-imidazole-4-carboxamide?
The IUPAC name of 3-benzyl-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-imidazole-4-carboxamide (CID 112522725) is 3-benzyl-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-imidazole-4-carboxamide.
What is the SMILES notation for 3-benzyl-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-imidazole-4-carboxamide?
The canonical SMILES for 3-benzyl-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-imidazole-4-carboxamide is O=C(Nc1cccc2[nH]c(=O)oc12)c1c[nH]c(=O)n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-imidazole-4-carboxamide?
The InChIKey is FJXLRANJYBRFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O4/c23-16(20-12-7-4-8-13-15(12)26-18(25)21-13)14-9-19-17(24)22(14)10-11-5-2-1-3-6-11/h1-9H,10H2,(H,19,24)(H,20,23)(H,21,25).
What are the key properties of 3-benzyl-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-imidazole-4-carboxamide?
3-benzyl-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-imidazole-4-carboxamide has a molecular weight of 350.33 g/mol, XLogP of 1.91, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-imidazole-4-carboxamide is sourced from PubChem (CID 112522725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).