2-[(5-methyl-2-nitrophenoxy)methyl]-5-phenyl-1,3-oxazole

C17H14N2O4 — CID 41459120

IUPAC2-[(5-methyl-2-nitrophenoxy)methyl]-5-phenyl-1,3-oxazole
SMILESCc1ccc([N+](=O)[O-])c(OCc2ncc(-c3ccccc3)o2)c1
InChIInChI=1S/C17H14N2O4/c1-12-7-8-14(19(20)21)15(9-12)22-11-17-18-10-16(23-17)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyLQTQVHRADUDILL-UHFFFAOYSA-N
MW310.31 g/mol
LogP4.14
Rot. Bonds5

About 2-[(5-methyl-2-nitrophenoxy)methyl]-5-phenyl-1,3-oxazole

2-[(5-methyl-2-nitrophenoxy)methyl]-5-phenyl-1,3-oxazole (PubChem CID 41459120) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is 2-[(5-methyl-2-nitrophenoxy)methyl]-5-phenyl-1,3-oxazole.

Molecular Properties

Compound Name2-[(5-methyl-2-nitrophenoxy)methyl]-5-phenyl-1,3-oxazole
PubChem CID41459120
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name2-[(5-methyl-2-nitrophenoxy)methyl]-5-phenyl-1,3-oxazole
SMILESCc1ccc([N+](=O)[O-])c(OCc2ncc(-c3ccccc3)o2)c1
InChIInChI=1S/C17H14N2O4/c1-12-7-8-14(19(20)21)15(9-12)22-11-17-18-10-16(23-17)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyLQTQVHRADUDILL-UHFFFAOYSA-N
XLogP4.14
TPSA78.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

4-methyl-2-[(2-methylphenyl)methoxy]-1-nitrobenzene
CID 52542193
4-methyl-1-nitro-2-[(2-nitrophenyl)methoxy]benzene
CID 41459081
(5-phenyl-1,3-oxazol-2-yl)methyl 2-nitrobenzoate
CID 9454725
5-(4-chlorophenyl)-2-[(2-methoxy-4-methylphenoxy)methyl]-1,3-oxazole
CID 9354227
[2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] 3-(5-phenyl-1,3-oxazol-2-yl)propanoate
CID 55496759
5-[(5-methyl-2-nitrophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 36632101
2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-5-phenyl-1,3-oxazole
CID 4786122
3-(3-methylphenyl)-5-[(2-nitrophenoxy)methyl]-1,2,4-oxadiazole
CID 19657964
(5-phenyl-1,3-oxazol-2-yl)methyl 5-nitrofuran-2-carboxylate
CID 9454937
2-[(4-methoxyphenoxy)methyl]-5-phenyl-1,3-oxazole
CID 24961512
3-[(2-nitrophenoxy)methyl]-5-phenyl-1,2-oxazole
CID 9013397
4-methoxy-2-[(5-phenyl-1,3-oxazol-2-yl)methoxy]benzamide
CID 47004427

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-2-nitrophenoxy)methyl]-5-phenyl-1,3-oxazole?
The IUPAC name of 2-[(5-methyl-2-nitrophenoxy)methyl]-5-phenyl-1,3-oxazole (CID 41459120) is 2-[(5-methyl-2-nitrophenoxy)methyl]-5-phenyl-1,3-oxazole.
What is the SMILES notation for 2-[(5-methyl-2-nitrophenoxy)methyl]-5-phenyl-1,3-oxazole?
The canonical SMILES for 2-[(5-methyl-2-nitrophenoxy)methyl]-5-phenyl-1,3-oxazole is Cc1ccc([N+](=O)[O-])c(OCc2ncc(-c3ccccc3)o2)c1.
What is the InChIKey of 2-[(5-methyl-2-nitrophenoxy)methyl]-5-phenyl-1,3-oxazole?
The InChIKey is LQTQVHRADUDILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-12-7-8-14(19(20)21)15(9-12)22-11-17-18-10-16(23-17)13-5-3-2-4-6-13/h2-10H,11H2,1H3.
What are the key properties of 2-[(5-methyl-2-nitrophenoxy)methyl]-5-phenyl-1,3-oxazole?
2-[(5-methyl-2-nitrophenoxy)methyl]-5-phenyl-1,3-oxazole has a molecular weight of 310.31 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-2-nitrophenoxy)methyl]-5-phenyl-1,3-oxazole is sourced from PubChem (CID 41459120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).