[5-(3-methoxyphenyl)-2-(trifluoromethyl)-1,3-oxazol-4-yl]-(4-nitrophenyl)methanone

C18H11F3N2O5 — CID 132604858

IUPAC[5-(3-methoxyphenyl)-2-(trifluoromethyl)-1,3-oxazol-4-yl]-(4-nitrophenyl)methanone
SMILESCOc1cccc(-c2oc(C(F)(F)F)nc2C(=O)c2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C18H11F3N2O5/c1-27-13-4-2-3-11(9-13)16-14(22-17(28-16)18(19,20)21)15(24)10-5-7-12(8-6-10)23(25)26/h2-9H,1H3
InChIKeyLRTDTXUESUYXSA-UHFFFAOYSA-N
MW392.29 g/mol
LogP4.51
Rot. Bonds5

About [5-(3-methoxyphenyl)-2-(trifluoromethyl)-1,3-oxazol-4-yl]-(4-nitrophenyl)methanone

[5-(3-methoxyphenyl)-2-(trifluoromethyl)-1,3-oxazol-4-yl]-(4-nitrophenyl)methanone (PubChem CID 132604858) has the molecular formula C18H11F3N2O5 and a molecular weight of 392.29 g/mol. Its IUPAC name is [5-(3-methoxyphenyl)-2-(trifluoromethyl)-1,3-oxazol-4-yl]-(4-nitrophenyl)methanone.

Molecular Properties

Compound Name[5-(3-methoxyphenyl)-2-(trifluoromethyl)-1,3-oxazol-4-yl]-(4-nitrophenyl)methanone
PubChem CID132604858
Molecular FormulaC18H11F3N2O5
Molecular Weight392.29 g/mol
Exact Mass392.06
IUPAC Name[5-(3-methoxyphenyl)-2-(trifluoromethyl)-1,3-oxazol-4-yl]-(4-nitrophenyl)methanone
SMILESCOc1cccc(-c2oc(C(F)(F)F)nc2C(=O)c2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C18H11F3N2O5/c1-27-13-4-2-3-11(9-13)16-14(22-17(28-16)18(19,20)21)15(24)10-5-7-12(8-6-10)23(25)26/h2-9H,1H3
InChIKeyLRTDTXUESUYXSA-UHFFFAOYSA-N
XLogP4.51
TPSA95.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [5-(3-methoxyphenyl)-2-(trifluoromethyl)-1,3-oxazol-4-yl]-(4-nitrophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-methoxyphenyl)-5-(4-nitrophenyl)-1,2,4-oxadiazole
CID 2983228
2,2,2-trifluoro-1-(4-methoxyphenyl)-N-(4-nitrophenyl)ethanimine
CID 177478664
(2-hydroxy-4-methoxyphenyl)-(4-nitrophenyl)methanone
CID 14241911
(3-methoxyphenyl) (4-nitrophenyl) carbonate
CID 67038917
(2-chloro-4-methoxyphenyl)-(4-nitrophenyl)methanone
CID 12585195
(4-methoxyphenyl)-(5-nitro-1-benzofuran-2-yl)methanone
CID 2728228
[(5R)-5-hydroxy-5-(4-nitrophenyl)-3-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-methoxyphenyl)methanone
CID 1142415
[2-[5-(3-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]-(4-nitrophenyl)methanone
CID 46107292
[3-[3-(4-nitrobenzoyl)phenoxy]phenyl]-(4-nitrophenyl)methanone;palladium
CID 88696344
1-(3-methoxyphenyl)-2-(4-nitrophenoxy)ethanone
CID 898904
1,3-dinitrobenzene;3-methoxyphenol
CID 174564755
5-[5-[(3-methoxyphenoxy)methyl]furan-2-yl]-3-(4-nitrophenyl)-1,2,4-oxadiazole
CID 19330771

Frequently Asked Questions

What is the IUPAC name of [5-(3-methoxyphenyl)-2-(trifluoromethyl)-1,3-oxazol-4-yl]-(4-nitrophenyl)methanone?
The IUPAC name of [5-(3-methoxyphenyl)-2-(trifluoromethyl)-1,3-oxazol-4-yl]-(4-nitrophenyl)methanone (CID 132604858) is [5-(3-methoxyphenyl)-2-(trifluoromethyl)-1,3-oxazol-4-yl]-(4-nitrophenyl)methanone.
What is the SMILES notation for [5-(3-methoxyphenyl)-2-(trifluoromethyl)-1,3-oxazol-4-yl]-(4-nitrophenyl)methanone?
The canonical SMILES for [5-(3-methoxyphenyl)-2-(trifluoromethyl)-1,3-oxazol-4-yl]-(4-nitrophenyl)methanone is COc1cccc(-c2oc(C(F)(F)F)nc2C(=O)c2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of [5-(3-methoxyphenyl)-2-(trifluoromethyl)-1,3-oxazol-4-yl]-(4-nitrophenyl)methanone?
The InChIKey is LRTDTXUESUYXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N2O5/c1-27-13-4-2-3-11(9-13)16-14(22-17(28-16)18(19,20)21)15(24)10-5-7-12(8-6-10)23(25)26/h2-9H,1H3.
What are the key properties of [5-(3-methoxyphenyl)-2-(trifluoromethyl)-1,3-oxazol-4-yl]-(4-nitrophenyl)methanone?
[5-(3-methoxyphenyl)-2-(trifluoromethyl)-1,3-oxazol-4-yl]-(4-nitrophenyl)methanone has a molecular weight of 392.29 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methoxyphenyl)-2-(trifluoromethyl)-1,3-oxazol-4-yl]-(4-nitrophenyl)methanone is sourced from PubChem (CID 132604858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).