5-(2-methylphenyl)-3-[(2-methylphenyl)methyl]-4-nitro-1,2-oxazole

C18H16N2O3 — CID 10425380

IUPAC5-(2-methylphenyl)-3-[(2-methylphenyl)methyl]-4-nitro-1,2-oxazole
SMILESCc1ccccc1Cc1noc(-c2ccccc2C)c1[N+](=O)[O-]
InChIInChI=1S/C18H16N2O3/c1-12-7-3-5-9-14(12)11-16-17(20(21)22)18(23-19-16)15-10-6-4-8-13(15)2/h3-10H,11H2,1-2H3
InChIKeyMWVJYXOCYXRUHY-UHFFFAOYSA-N
MW308.34 g/mol
LogP4.46
Rot. Bonds4

About 5-(2-methylphenyl)-3-[(2-methylphenyl)methyl]-4-nitro-1,2-oxazole

5-(2-methylphenyl)-3-[(2-methylphenyl)methyl]-4-nitro-1,2-oxazole (PubChem CID 10425380) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 5-(2-methylphenyl)-3-[(2-methylphenyl)methyl]-4-nitro-1,2-oxazole.

Molecular Properties

Compound Name5-(2-methylphenyl)-3-[(2-methylphenyl)methyl]-4-nitro-1,2-oxazole
PubChem CID10425380
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name5-(2-methylphenyl)-3-[(2-methylphenyl)methyl]-4-nitro-1,2-oxazole
SMILESCc1ccccc1Cc1noc(-c2ccccc2C)c1[N+](=O)[O-]
InChIInChI=1S/C18H16N2O3/c1-12-7-3-5-9-14(12)11-16-17(20(21)22)18(23-19-16)15-10-6-4-8-13(15)2/h3-10H,11H2,1-2H3
InChIKeyMWVJYXOCYXRUHY-UHFFFAOYSA-N
XLogP4.46
TPSA69.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2-(3-methyl-4-nitro-1,2-oxazol-5-yl)phenol
CID 135818846
(3-methyl-2-nitrophenyl)methylhydrazine
CID 53402772
1-[2-[[2-(2,4-dimethyl-3-nitrophenyl)phenyl]methoxymethyl]phenyl]-2,4-dimethyl-3-nitrobenzene
CID 88792480
1-(2-methylphenyl)-N-[(2-nitrophenyl)methyl]methanamine
CID 60664546
N-[(2-methylphenyl)methyl]-2-(2-nitrophenyl)ethanamine
CID 63063478
4-methyl-5-(2-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 105470722
1-methyl-2-[(3-nitrophenyl)methyl]benzene
CID 174546856
[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-methyl-2-nitrobenzoate
CID 18134974
1-(2-methylphenyl)-2,3,4-trinitrobenzene
CID 141268177
[5-(3-methyl-2-nitrophenyl)-1,3-oxazol-2-yl]methanamine
CID 65180077
6-[(2-bromophenyl)methyl]-5-nitropyrimidine-2,4-diamine
CID 91075958
4-[2-(aminomethyl)phenyl]-2-methyl-3-nitrophenol
CID 151046873

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylphenyl)-3-[(2-methylphenyl)methyl]-4-nitro-1,2-oxazole?
The IUPAC name of 5-(2-methylphenyl)-3-[(2-methylphenyl)methyl]-4-nitro-1,2-oxazole (CID 10425380) is 5-(2-methylphenyl)-3-[(2-methylphenyl)methyl]-4-nitro-1,2-oxazole.
What is the SMILES notation for 5-(2-methylphenyl)-3-[(2-methylphenyl)methyl]-4-nitro-1,2-oxazole?
The canonical SMILES for 5-(2-methylphenyl)-3-[(2-methylphenyl)methyl]-4-nitro-1,2-oxazole is Cc1ccccc1Cc1noc(-c2ccccc2C)c1[N+](=O)[O-].
What is the InChIKey of 5-(2-methylphenyl)-3-[(2-methylphenyl)methyl]-4-nitro-1,2-oxazole?
The InChIKey is MWVJYXOCYXRUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-12-7-3-5-9-14(12)11-16-17(20(21)22)18(23-19-16)15-10-6-4-8-13(15)2/h3-10H,11H2,1-2H3.
What are the key properties of 5-(2-methylphenyl)-3-[(2-methylphenyl)methyl]-4-nitro-1,2-oxazole?
5-(2-methylphenyl)-3-[(2-methylphenyl)methyl]-4-nitro-1,2-oxazole has a molecular weight of 308.34 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylphenyl)-3-[(2-methylphenyl)methyl]-4-nitro-1,2-oxazole is sourced from PubChem (CID 10425380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).