4-methyl-5-(4-nitrophenyl)-1,3-oxazole

C10H8N2O3 — CID 23423056

IUPAC4-methyl-5-(4-nitrophenyl)-1,3-oxazole
SMILESCc1ncoc1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H8N2O3/c1-7-10(15-6-11-7)8-2-4-9(5-3-8)12(13)14/h2-6H,1H3
InChIKeyHGBGTROOPFYLKU-UHFFFAOYSA-N
MW204.19 g/mol
LogP2.56
Rot. Bonds2

About 4-methyl-5-(4-nitrophenyl)-1,3-oxazole

4-methyl-5-(4-nitrophenyl)-1,3-oxazole (PubChem CID 23423056) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is 4-methyl-5-(4-nitrophenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-methyl-5-(4-nitrophenyl)-1,3-oxazole
PubChem CID23423056
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name4-methyl-5-(4-nitrophenyl)-1,3-oxazole
SMILESCc1ncoc1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H8N2O3/c1-7-10(15-6-11-7)8-2-4-9(5-3-8)12(13)14/h2-6H,1H3
InChIKeyHGBGTROOPFYLKU-UHFFFAOYSA-N
XLogP2.56
TPSA69.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 52.56
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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(4-nitrophenyl)-1,3-oxazole?
The IUPAC name of 4-methyl-5-(4-nitrophenyl)-1,3-oxazole (CID 23423056) is 4-methyl-5-(4-nitrophenyl)-1,3-oxazole.
What is the SMILES notation for 4-methyl-5-(4-nitrophenyl)-1,3-oxazole?
The canonical SMILES for 4-methyl-5-(4-nitrophenyl)-1,3-oxazole is Cc1ncoc1-c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-methyl-5-(4-nitrophenyl)-1,3-oxazole?
The InChIKey is HGBGTROOPFYLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c1-7-10(15-6-11-7)8-2-4-9(5-3-8)12(13)14/h2-6H,1H3.
What are the key properties of 4-methyl-5-(4-nitrophenyl)-1,3-oxazole?
4-methyl-5-(4-nitrophenyl)-1,3-oxazole has a molecular weight of 204.19 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(4-nitrophenyl)-1,3-oxazole is sourced from PubChem (CID 23423056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).