5-[(4-nitrophenyl)methoxy]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole

C17H11F3N2O4 — CID 14443380

IUPAC5-[(4-nitrophenyl)methoxy]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole
SMILESO=[N+]([O-])c1ccc(COc2oc(-c3ccccc3)nc2C(F)(F)F)cc1
InChIInChI=1S/C17H11F3N2O4/c18-17(19,20)14-16(26-15(21-14)12-4-2-1-3-5-12)25-10-11-6-8-13(9-7-11)22(23)24/h1-9H,10H2
InChIKeyGMZVLUIBDUONSD-UHFFFAOYSA-N
MW364.28 g/mol
LogP4.85
Rot. Bonds5

About 5-[(4-nitrophenyl)methoxy]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole

5-[(4-nitrophenyl)methoxy]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole (PubChem CID 14443380) has the molecular formula C17H11F3N2O4 and a molecular weight of 364.28 g/mol. Its IUPAC name is 5-[(4-nitrophenyl)methoxy]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-[(4-nitrophenyl)methoxy]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole
PubChem CID14443380
Molecular FormulaC17H11F3N2O4
Molecular Weight364.28 g/mol
Exact Mass364.07
IUPAC Name5-[(4-nitrophenyl)methoxy]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole
SMILESO=[N+]([O-])c1ccc(COc2oc(-c3ccccc3)nc2C(F)(F)F)cc1
InChIInChI=1S/C17H11F3N2O4/c18-17(19,20)14-16(26-15(21-14)12-4-2-1-3-5-12)25-10-11-6-8-13(9-7-11)22(23)24/h1-9H,10H2
InChIKeyGMZVLUIBDUONSD-UHFFFAOYSA-N
XLogP4.85
TPSA78.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.28
LogP ≤ 54.85
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

2-[(4-nitrophenyl)methyl]-5-phenyl-1,3,4-oxadiazole
CID 13004923
1-nitro-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 561294
4-[(4-nitrophenoxy)methyl]-2-phenyl-1,3-oxazole
CID 18171386
1-benzyl-4-[(4-nitrophenyl)methoxy]benzene
CID 894511
5-methyl-2-(4-nitrophenyl)-4-phenyl-1,3-oxazole
CID 57465372
3-(4-nitrophenyl)-2,4-bis(phenylmethoxy)quinoline
CID 71469733
trimethyl-[[2-(4-nitrophenyl)-4-phenyl-1,3-oxazol-5-yl]methyl]silane
CID 42611516
3-(4-nitrophenyl)-2,6-bis(phenylmethoxy)pyridine
CID 170322517
[4-[3-[(4-nitrophenyl)methoxy]phenyl]-8-(trifluoromethyl)quinolin-3-yl]-phenylmethanone
CID 66914228
5-[4-[(4-methoxyphenoxy)methyl]phenyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole
CID 19330837
2,4-dichloro-6-[(4-nitrophenyl)methoxy]-1,3,5-triazine
CID 138975635
1-bromo-2-[(4-nitrophenyl)methoxy]benzene
CID 24703938

Frequently Asked Questions

What is the IUPAC name of 5-[(4-nitrophenyl)methoxy]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 5-[(4-nitrophenyl)methoxy]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole (CID 14443380) is 5-[(4-nitrophenyl)methoxy]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 5-[(4-nitrophenyl)methoxy]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 5-[(4-nitrophenyl)methoxy]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole is O=[N+]([O-])c1ccc(COc2oc(-c3ccccc3)nc2C(F)(F)F)cc1.
What is the InChIKey of 5-[(4-nitrophenyl)methoxy]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole?
The InChIKey is GMZVLUIBDUONSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2O4/c18-17(19,20)14-16(26-15(21-14)12-4-2-1-3-5-12)25-10-11-6-8-13(9-7-11)22(23)24/h1-9H,10H2.
What are the key properties of 5-[(4-nitrophenyl)methoxy]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole?
5-[(4-nitrophenyl)methoxy]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole has a molecular weight of 364.28 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-nitrophenyl)methoxy]-2-phenyl-4-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 14443380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).