4-(4,5-dihydro-1H-imidazol-2-yl)-5-(furan-2-yl)-3-(4-nitrophenyl)-1,2-oxazole

C16H12N4O4 — CID 15448971

IUPAC4-(4,5-dihydro-1H-imidazol-2-yl)-5-(furan-2-yl)-3-(4-nitrophenyl)-1,2-oxazole
SMILESO=[N+]([O-])c1ccc(-c2noc(-c3ccco3)c2C2=NCCN2)cc1
InChIInChI=1S/C16H12N4O4/c21-20(22)11-5-3-10(4-6-11)14-13(16-17-7-8-18-16)15(24-19-14)12-2-1-9-23-12/h1-6,9H,7-8H2,(H,17,18)
InChIKeyLCELIDXWGAUQME-UHFFFAOYSA-N
MW324.30 g/mol
LogP2.86
Rot. Bonds4

About 4-(4,5-dihydro-1H-imidazol-2-yl)-5-(furan-2-yl)-3-(4-nitrophenyl)-1,2-oxazole

4-(4,5-dihydro-1H-imidazol-2-yl)-5-(furan-2-yl)-3-(4-nitrophenyl)-1,2-oxazole (PubChem CID 15448971) has the molecular formula C16H12N4O4 and a molecular weight of 324.30 g/mol. Its IUPAC name is 4-(4,5-dihydro-1H-imidazol-2-yl)-5-(furan-2-yl)-3-(4-nitrophenyl)-1,2-oxazole.

Molecular Properties

Compound Name4-(4,5-dihydro-1H-imidazol-2-yl)-5-(furan-2-yl)-3-(4-nitrophenyl)-1,2-oxazole
PubChem CID15448971
Molecular FormulaC16H12N4O4
Molecular Weight324.30 g/mol
Exact Mass324.09
IUPAC Name4-(4,5-dihydro-1H-imidazol-2-yl)-5-(furan-2-yl)-3-(4-nitrophenyl)-1,2-oxazole
SMILESO=[N+]([O-])c1ccc(-c2noc(-c3ccco3)c2C2=NCCN2)cc1
InChIInChI=1S/C16H12N4O4/c21-20(22)11-5-3-10(4-6-11)14-13(16-17-7-8-18-16)15(24-19-14)12-2-1-9-23-12/h1-6,9H,7-8H2,(H,17,18)
InChIKeyLCELIDXWGAUQME-UHFFFAOYSA-N
XLogP2.86
TPSA106.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(4,5-dihydro-1H-imidazol-2-yl)-6-nitro-1,2-benzoxazole;hydrochloride
CID 12786139
7-(4-nitrophenyl)-5-phenyl-2,3-dihydro-1H-1,4-diazepine
CID 91800800
4-(4-fluorophenyl)-5-methyl-3-(4-nitrophenyl)-1,2-oxazole
CID 155538929
4-(4-fluorophenyl)-3-(4-nitrophenyl)-1,2-oxazol-5-amine
CID 155520575
2-(2-nitrophenyl)-4,5-dihydro-1H-imidazole
CID 10877953
2-[4-(4-nitrophenoxy)phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82251885
2-[4-(3-nitrophenyl)-1-benzofuran-2-yl]-4,5-dihydro-1H-imidazole
CID 22083529
4-(4,5-dihydro-1H-imidazol-2-yl)-5-(4-methylphenyl)-1-(4-nitrophenyl)triazole
CID 15169142
6-(4,5-dihydro-1H-imidazol-2-yl)-2-(4-nitrophenyl)-1,3-benzothiazole
CID 46232051
3-(furan-2-yl)-5-nitro-1H-indazole
CID 76847948
methyl 4-[5-(furan-2-yl)-4-[(4-nitrophenyl)methyl]-1H-pyrazol-3-yl]benzoate
CID 169284630
[5-(3,5-dimethylphenyl)-3-(4-nitrophenyl)-1,2-oxazol-4-yl]methanol
CID 131867820

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dihydro-1H-imidazol-2-yl)-5-(furan-2-yl)-3-(4-nitrophenyl)-1,2-oxazole?
The IUPAC name of 4-(4,5-dihydro-1H-imidazol-2-yl)-5-(furan-2-yl)-3-(4-nitrophenyl)-1,2-oxazole (CID 15448971) is 4-(4,5-dihydro-1H-imidazol-2-yl)-5-(furan-2-yl)-3-(4-nitrophenyl)-1,2-oxazole.
What is the SMILES notation for 4-(4,5-dihydro-1H-imidazol-2-yl)-5-(furan-2-yl)-3-(4-nitrophenyl)-1,2-oxazole?
The canonical SMILES for 4-(4,5-dihydro-1H-imidazol-2-yl)-5-(furan-2-yl)-3-(4-nitrophenyl)-1,2-oxazole is O=[N+]([O-])c1ccc(-c2noc(-c3ccco3)c2C2=NCCN2)cc1.
What is the InChIKey of 4-(4,5-dihydro-1H-imidazol-2-yl)-5-(furan-2-yl)-3-(4-nitrophenyl)-1,2-oxazole?
The InChIKey is LCELIDXWGAUQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O4/c21-20(22)11-5-3-10(4-6-11)14-13(16-17-7-8-18-16)15(24-19-14)12-2-1-9-23-12/h1-6,9H,7-8H2,(H,17,18).
What are the key properties of 4-(4,5-dihydro-1H-imidazol-2-yl)-5-(furan-2-yl)-3-(4-nitrophenyl)-1,2-oxazole?
4-(4,5-dihydro-1H-imidazol-2-yl)-5-(furan-2-yl)-3-(4-nitrophenyl)-1,2-oxazole has a molecular weight of 324.30 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dihydro-1H-imidazol-2-yl)-5-(furan-2-yl)-3-(4-nitrophenyl)-1,2-oxazole is sourced from PubChem (CID 15448971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).