N-(1,3-benzoxazol-5-yl)-3-benzyl-2-oxo-1H-imidazole-4-carboxamide

C18H14N4O3 — CID 112525477

IUPACN-(1,3-benzoxazol-5-yl)-3-benzyl-2-oxo-1H-imidazole-4-carboxamide
SMILESO=C(Nc1ccc2ocnc2c1)c1c[nH]c(=O)n1Cc1ccccc1
InChIInChI=1S/C18H14N4O3/c23-17(21-13-6-7-16-14(8-13)20-11-25-16)15-9-19-18(24)22(15)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,19,24)(H,21,23)
InChIKeyZRYIKNOVRLGKBO-UHFFFAOYSA-N
MW334.34 g/mol
LogP2.62
Rot. Bonds4

About N-(1,3-benzoxazol-5-yl)-3-benzyl-2-oxo-1H-imidazole-4-carboxamide

N-(1,3-benzoxazol-5-yl)-3-benzyl-2-oxo-1H-imidazole-4-carboxamide (PubChem CID 112525477) has the molecular formula C18H14N4O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is N-(1,3-benzoxazol-5-yl)-3-benzyl-2-oxo-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzoxazol-5-yl)-3-benzyl-2-oxo-1H-imidazole-4-carboxamide
PubChem CID112525477
Molecular FormulaC18H14N4O3
Molecular Weight334.34 g/mol
Exact Mass334.11
IUPAC NameN-(1,3-benzoxazol-5-yl)-3-benzyl-2-oxo-1H-imidazole-4-carboxamide
SMILESO=C(Nc1ccc2ocnc2c1)c1c[nH]c(=O)n1Cc1ccccc1
InChIInChI=1S/C18H14N4O3/c23-17(21-13-6-7-16-14(8-13)20-11-25-16)15-9-19-18(24)22(15)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,19,24)(H,21,23)
InChIKeyZRYIKNOVRLGKBO-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

3-benzyl-2-oxo-N-(4-phenoxyphenyl)-1H-imidazole-4-carboxamide
CID 112523899
N-(1,3-benzoxazol-2-yl)-3-benzyl-2-oxo-1H-imidazole-4-carboxamide
CID 112528155
N-(1,3-benzoxazol-5-yl)-2-phenylacetamide
CID 110728668
1-(1,3-benzoxazol-5-yl)-3-benzylurea
CID 110748624
3-benzyl-N-(2,5-dichlorophenyl)-2-oxo-1H-imidazole-4-carboxamide
CID 112523234
N-(1,3-benzoxazol-5-yl)-2-methylbenzamide
CID 110728649
N-(1,3-benzoxazol-5-yl)pyridine-4-carboxamide
CID 110728684
3-benzyl-2-oxo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-imidazole-4-carboxamide
CID 112522725
N-(4-phenylmethoxyphenyl)-1,3-benzoxazole-5-carboxamide
CID 110388232
3-benzyl-N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-oxo-1H-imidazole-4-carboxamide
CID 112523286
N-(4-anilinophenyl)-1,3-benzoxazole-5-carboxamide
CID 108795166
3-benzyl-N-[(2,6-difluorophenyl)methyl]-2-oxo-1H-imidazole-4-carboxamide
CID 112522455

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-5-yl)-3-benzyl-2-oxo-1H-imidazole-4-carboxamide?
The IUPAC name of N-(1,3-benzoxazol-5-yl)-3-benzyl-2-oxo-1H-imidazole-4-carboxamide (CID 112525477) is N-(1,3-benzoxazol-5-yl)-3-benzyl-2-oxo-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-(1,3-benzoxazol-5-yl)-3-benzyl-2-oxo-1H-imidazole-4-carboxamide?
The canonical SMILES for N-(1,3-benzoxazol-5-yl)-3-benzyl-2-oxo-1H-imidazole-4-carboxamide is O=C(Nc1ccc2ocnc2c1)c1c[nH]c(=O)n1Cc1ccccc1.
What is the InChIKey of N-(1,3-benzoxazol-5-yl)-3-benzyl-2-oxo-1H-imidazole-4-carboxamide?
The InChIKey is ZRYIKNOVRLGKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3/c23-17(21-13-6-7-16-14(8-13)20-11-25-16)15-9-19-18(24)22(15)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,19,24)(H,21,23).
What are the key properties of N-(1,3-benzoxazol-5-yl)-3-benzyl-2-oxo-1H-imidazole-4-carboxamide?
N-(1,3-benzoxazol-5-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-5-yl)-3-benzyl-2-oxo-1H-imidazole-4-carboxamide is sourced from PubChem (CID 112525477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).