5-methyl-4-(2-nitrophenyl)-1,2-oxazole

C10H8N2O3 — CID 21271820

IUPAC5-methyl-4-(2-nitrophenyl)-1,2-oxazole
SMILESCc1oncc1-c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H8N2O3/c1-7-9(6-11-15-7)8-4-2-3-5-10(8)12(13)14/h2-6H,1H3
InChIKeyLFRRGDPAJJBGOS-UHFFFAOYSA-N
MW204.19 g/mol
LogP2.56
Rot. Bonds2

About 5-methyl-4-(2-nitrophenyl)-1,2-oxazole

5-methyl-4-(2-nitrophenyl)-1,2-oxazole (PubChem CID 21271820) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is 5-methyl-4-(2-nitrophenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-4-(2-nitrophenyl)-1,2-oxazole
PubChem CID21271820
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name5-methyl-4-(2-nitrophenyl)-1,2-oxazole
SMILESCc1oncc1-c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H8N2O3/c1-7-9(6-11-15-7)8-4-2-3-5-10(8)12(13)14/h2-6H,1H3
InChIKeyLFRRGDPAJJBGOS-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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Related Compounds

3-methyl-4-(2-nitrophenyl)pyridine
CID 603571
2,4-dimethyl-5-(2-nitrophenyl)pyridine
CID 121389109
N-[[5-(2-nitrophenyl)-1,2-oxazol-4-yl]methyl]ethanamine
CID 65240155
1-methyl-4-(2-nitrophenyl)naphthalene
CID 66585246
ethane;2-(2-nitrophenyl)-1,3-oxazole
CID 91192753
1-chloro-2-nitrobenzene;1-nitro-2-(2-nitrophenyl)benzene
CID 159796978
1,3-dimethyl-5-(2-nitrophenyl)benzene
CID 102025373
2-(2-nitrophenyl)benzenesulfinate
CID 67258101
1-(2-methoxyphenyl)-2-nitrobenzene
CID 818687
3-methyl-4-nitro-5-(2-nitrophenyl)-1,2-selenazole
CID 14343207
3-methylsulfanyl-4-(2-nitrophenyl)-1,2,5-oxadiazole
CID 21271859
3,6-bis(2-nitrophenyl)-1,4-dihydro-1,2,4,5-tetrazine
CID 134109320

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(2-nitrophenyl)-1,2-oxazole?
The IUPAC name of 5-methyl-4-(2-nitrophenyl)-1,2-oxazole (CID 21271820) is 5-methyl-4-(2-nitrophenyl)-1,2-oxazole.
What is the SMILES notation for 5-methyl-4-(2-nitrophenyl)-1,2-oxazole?
The canonical SMILES for 5-methyl-4-(2-nitrophenyl)-1,2-oxazole is Cc1oncc1-c1ccccc1[N+](=O)[O-].
What is the InChIKey of 5-methyl-4-(2-nitrophenyl)-1,2-oxazole?
The InChIKey is LFRRGDPAJJBGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c1-7-9(6-11-15-7)8-4-2-3-5-10(8)12(13)14/h2-6H,1H3.
What are the key properties of 5-methyl-4-(2-nitrophenyl)-1,2-oxazole?
5-methyl-4-(2-nitrophenyl)-1,2-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 5-methyl-4-(2-nitrophenyl)-1,2-oxazole is sourced from PubChem (CID 21271820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).