trimethyl-[4-methyl-3-(4-nitrophenyl)-1,2-oxazol-5-yl]silane

C13H16N2O3Si — CID 158258419

IUPACtrimethyl-[4-methyl-3-(4-nitrophenyl)-1,2-oxazol-5-yl]silane
SMILESCc1c(-c2ccc([N+](=O)[O-])cc2)noc1[Si](C)(C)C
InChIInChI=1S/C13H16N2O3Si/c1-9-12(14-18-13(9)19(2,3)4)10-5-7-11(8-6-10)15(16)17/h5-8H,1-4H3
InChIKeyYHXMEVQBDPDOEK-UHFFFAOYSA-N
MW276.37 g/mol
LogP3.10
Rot. Bonds3

About trimethyl-[4-methyl-3-(4-nitrophenyl)-1,2-oxazol-5-yl]silane

trimethyl-[4-methyl-3-(4-nitrophenyl)-1,2-oxazol-5-yl]silane (PubChem CID 158258419) has the molecular formula C13H16N2O3Si and a molecular weight of 276.37 g/mol. Its IUPAC name is trimethyl-[4-methyl-3-(4-nitrophenyl)-1,2-oxazol-5-yl]silane.

Molecular Properties

Compound Nametrimethyl-[4-methyl-3-(4-nitrophenyl)-1,2-oxazol-5-yl]silane
PubChem CID158258419
Molecular FormulaC13H16N2O3Si
Molecular Weight276.37 g/mol
Exact Mass276.09
IUPAC Nametrimethyl-[4-methyl-3-(4-nitrophenyl)-1,2-oxazol-5-yl]silane
SMILESCc1c(-c2ccc([N+](=O)[O-])cc2)noc1[Si](C)(C)C
InChIInChI=1S/C13H16N2O3Si/c1-9-12(14-18-13(9)19(2,3)4)10-5-7-11(8-6-10)15(16)17/h5-8H,1-4H3
InChIKeyYHXMEVQBDPDOEK-UHFFFAOYSA-N
XLogP3.10
TPSA69.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'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-(4-nitrophenyl)-1,2,5-oxadiazole
CID 13144101
4-(4-fluorophenyl)-5-methyl-3-(4-nitrophenyl)-1,2-oxazole
CID 155538929
5-(4-methylphenyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole
CID 702917
3,5-bis(4-nitrophenyl)-1,2,4-oxadiazole
CID 596524
[5-(3,5-dimethylphenyl)-3-(4-nitrophenyl)-1,2-oxazol-4-yl]methanol
CID 131867820
1-methyl-4-nitrobenzene;hydrofluoride
CID 174946488
4-(4-fluorophenyl)-3-(4-nitrophenyl)-1,2-oxazol-5-amine
CID 155520575
ethyl 3-(4-methylphenyl)-4-(4-nitrophenyl)-1,2-oxazole-5-carboxylate
CID 102360140
5-(4-methylphenyl)-3-(4-nitrophenyl)-1,2-oxazole
CID 139215074
2,5-dimethyl-4-(4-nitrophenyl)-1,3-thiazole
CID 67621456
5-chloro-3-(4-nitrophenyl)-1,2-oxazole
CID 15258968
1-methyl-4-nitrobenzene;molecular nitrogen
CID 175124528

Frequently Asked Questions

What is the IUPAC name of trimethyl-[4-methyl-3-(4-nitrophenyl)-1,2-oxazol-5-yl]silane?
The IUPAC name of trimethyl-[4-methyl-3-(4-nitrophenyl)-1,2-oxazol-5-yl]silane (CID 158258419) is trimethyl-[4-methyl-3-(4-nitrophenyl)-1,2-oxazol-5-yl]silane.
What is the SMILES notation for trimethyl-[4-methyl-3-(4-nitrophenyl)-1,2-oxazol-5-yl]silane?
The canonical SMILES for trimethyl-[4-methyl-3-(4-nitrophenyl)-1,2-oxazol-5-yl]silane is Cc1c(-c2ccc([N+](=O)[O-])cc2)noc1[Si](C)(C)C.
What is the InChIKey of trimethyl-[4-methyl-3-(4-nitrophenyl)-1,2-oxazol-5-yl]silane?
The InChIKey is YHXMEVQBDPDOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3Si/c1-9-12(14-18-13(9)19(2,3)4)10-5-7-11(8-6-10)15(16)17/h5-8H,1-4H3.
What are the key properties of trimethyl-[4-methyl-3-(4-nitrophenyl)-1,2-oxazol-5-yl]silane?
trimethyl-[4-methyl-3-(4-nitrophenyl)-1,2-oxazol-5-yl]silane has a molecular weight of 276.37 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-methyl-3-(4-nitrophenyl)-1,2-oxazol-5-yl]silane is sourced from PubChem (CID 158258419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).