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

C18H14N4O3 — CID 112528155

IUPACN-(1,3-benzoxazol-2-yl)-3-benzyl-2-oxo-1H-imidazole-4-carboxamide
SMILESO=C(Nc1nc2ccccc2o1)c1c[nH]c(=O)n1Cc1ccccc1
InChIInChI=1S/C18H14N4O3/c23-16(21-17-20-13-8-4-5-9-15(13)25-17)14-10-19-18(24)22(14)11-12-6-2-1-3-7-12/h1-10H,11H2,(H,19,24)(H,20,21,23)
InChIKeyIMPLLPISHNZKNJ-UHFFFAOYSA-N
MW334.34 g/mol
LogP2.62
Rot. Bonds4

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

N-(1,3-benzoxazol-2-yl)-3-benzyl-2-oxo-1H-imidazole-4-carboxamide (PubChem CID 112528155) has the molecular formula C18H14N4O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is N-(1,3-benzoxazol-2-yl)-3-benzyl-2-oxo-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzoxazol-2-yl)-3-benzyl-2-oxo-1H-imidazole-4-carboxamide
PubChem CID112528155
Molecular FormulaC18H14N4O3
Molecular Weight334.34 g/mol
Exact Mass334.11
IUPAC NameN-(1,3-benzoxazol-2-yl)-3-benzyl-2-oxo-1H-imidazole-4-carboxamide
SMILESO=C(Nc1nc2ccccc2o1)c1c[nH]c(=O)n1Cc1ccccc1
InChIInChI=1S/C18H14N4O3/c23-16(21-17-20-13-8-4-5-9-15(13)25-17)14-10-19-18(24)22(14)11-12-6-2-1-3-7-12/h1-10H,11H2,(H,19,24)(H,20,21,23)
InChIKeyIMPLLPISHNZKNJ-UHFFFAOYSA-N
XLogP2.62
TPSA92.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzoxazol-5-yl)-3-benzyl-2-oxo-1H-imidazole-4-carboxamide
CID 112525477
3-benzyl-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-imidazole-4-carboxamide
CID 112522725
3-benzyl-2-oxo-N-(4-phenoxyphenyl)-1H-imidazole-4-carboxamide
CID 112523899
3-benzyl-N-(2,5-dichlorophenyl)-2-oxo-1H-imidazole-4-carboxamide
CID 112523234
3-benzyl-N-cycloheptyl-2-oxo-1H-imidazole-4-carboxamide
CID 84576643
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-benzyl-2,6-dioxopyrimidin-4-yl)acetamide
CID 1409105
3-benzyl-N-[(2,6-difluorophenyl)methyl]-2-oxo-1H-imidazole-4-carboxamide
CID 112522455
N-(1,3-benzoxazol-2-yl)-2-(4-chlorophenyl)acetamide
CID 90655333
3-benzyl-N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-oxo-1H-imidazole-4-carboxamide
CID 112523286
N-(1,3-benzoxazol-2-yl)-5-chlorothiophene-2-carboxamide
CID 112528149
N-(1,3-benzoxazol-2-yl)-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112528171
3-benzyl-4-(4-hydroxypiperidine-1-carbonyl)-1H-imidazol-2-one
CID 112531172

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-2-yl)-3-benzyl-2-oxo-1H-imidazole-4-carboxamide?
The IUPAC name of N-(1,3-benzoxazol-2-yl)-3-benzyl-2-oxo-1H-imidazole-4-carboxamide (CID 112528155) is N-(1,3-benzoxazol-2-yl)-3-benzyl-2-oxo-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-(1,3-benzoxazol-2-yl)-3-benzyl-2-oxo-1H-imidazole-4-carboxamide?
The canonical SMILES for N-(1,3-benzoxazol-2-yl)-3-benzyl-2-oxo-1H-imidazole-4-carboxamide is O=C(Nc1nc2ccccc2o1)c1c[nH]c(=O)n1Cc1ccccc1.
What is the InChIKey of N-(1,3-benzoxazol-2-yl)-3-benzyl-2-oxo-1H-imidazole-4-carboxamide?
The InChIKey is IMPLLPISHNZKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3/c23-16(21-17-20-13-8-4-5-9-15(13)25-17)14-10-19-18(24)22(14)11-12-6-2-1-3-7-12/h1-10H,11H2,(H,19,24)(H,20,21,23).
What are the key properties of N-(1,3-benzoxazol-2-yl)-3-benzyl-2-oxo-1H-imidazole-4-carboxamide?
N-(1,3-benzoxazol-2-yl)-3-benzyl-2-oxo-1H-imidazole-4-carboxamide has a molecular weight of 334.34 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-2-yl)-3-benzyl-2-oxo-1H-imidazole-4-carboxamide is sourced from PubChem (CID 112528155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).