3-(3,4-difluorophenyl)-5-methyl-4-[1-(4-nitrophenyl)imidazol-4-yl]-1,2-oxazole

C19H12F2N4O3 — CID 23725483

IUPAC3-(3,4-difluorophenyl)-5-methyl-4-[1-(4-nitrophenyl)imidazol-4-yl]-1,2-oxazole
SMILESCc1onc(-c2ccc(F)c(F)c2)c1-c1cn(-c2ccc([N+](=O)[O-])cc2)cn1
InChIInChI=1S/C19H12F2N4O3/c1-11-18(19(23-28-11)12-2-7-15(20)16(21)8-12)17-9-24(10-22-17)13-3-5-14(6-4-13)25(26)27/h2-10H,1H3
InChIKeyAAWNMIJJUTXQHT-UHFFFAOYSA-N
MW382.33 g/mol
LogP4.69
Rot. Bonds4

About 3-(3,4-difluorophenyl)-5-methyl-4-[1-(4-nitrophenyl)imidazol-4-yl]-1,2-oxazole

3-(3,4-difluorophenyl)-5-methyl-4-[1-(4-nitrophenyl)imidazol-4-yl]-1,2-oxazole (PubChem CID 23725483) has the molecular formula C19H12F2N4O3 and a molecular weight of 382.33 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-5-methyl-4-[1-(4-nitrophenyl)imidazol-4-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-5-methyl-4-[1-(4-nitrophenyl)imidazol-4-yl]-1,2-oxazole
PubChem CID23725483
Molecular FormulaC19H12F2N4O3
Molecular Weight382.33 g/mol
Exact Mass382.09
IUPAC Name3-(3,4-difluorophenyl)-5-methyl-4-[1-(4-nitrophenyl)imidazol-4-yl]-1,2-oxazole
SMILESCc1onc(-c2ccc(F)c(F)c2)c1-c1cn(-c2ccc([N+](=O)[O-])cc2)cn1
InChIInChI=1S/C19H12F2N4O3/c1-11-18(19(23-28-11)12-2-7-15(20)16(21)8-12)17-9-24(10-22-17)13-3-5-14(6-4-13)25(26)27/h2-10H,1H3
InChIKeyAAWNMIJJUTXQHT-UHFFFAOYSA-N
XLogP4.69
TPSA86.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.33
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-5-methyl-4-[1-(4-nitrophenyl)imidazol-4-yl]-1,2-oxazole?
The IUPAC name of 3-(3,4-difluorophenyl)-5-methyl-4-[1-(4-nitrophenyl)imidazol-4-yl]-1,2-oxazole (CID 23725483) is 3-(3,4-difluorophenyl)-5-methyl-4-[1-(4-nitrophenyl)imidazol-4-yl]-1,2-oxazole.
What is the SMILES notation for 3-(3,4-difluorophenyl)-5-methyl-4-[1-(4-nitrophenyl)imidazol-4-yl]-1,2-oxazole?
The canonical SMILES for 3-(3,4-difluorophenyl)-5-methyl-4-[1-(4-nitrophenyl)imidazol-4-yl]-1,2-oxazole is Cc1onc(-c2ccc(F)c(F)c2)c1-c1cn(-c2ccc([N+](=O)[O-])cc2)cn1.
What is the InChIKey of 3-(3,4-difluorophenyl)-5-methyl-4-[1-(4-nitrophenyl)imidazol-4-yl]-1,2-oxazole?
The InChIKey is AAWNMIJJUTXQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F2N4O3/c1-11-18(19(23-28-11)12-2-7-15(20)16(21)8-12)17-9-24(10-22-17)13-3-5-14(6-4-13)25(26)27/h2-10H,1H3.
What are the key properties of 3-(3,4-difluorophenyl)-5-methyl-4-[1-(4-nitrophenyl)imidazol-4-yl]-1,2-oxazole?
3-(3,4-difluorophenyl)-5-methyl-4-[1-(4-nitrophenyl)imidazol-4-yl]-1,2-oxazole has a molecular weight of 382.33 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-5-methyl-4-[1-(4-nitrophenyl)imidazol-4-yl]-1,2-oxazole is sourced from PubChem (CID 23725483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).