N-(3-methyl-1,2-oxazol-5-yl)-2-[2-nitro-4-(trifluoromethyl)phenoxy]acetamide

C13H10F3N3O5 — CID 99841855

IUPACN-(3-methyl-1,2-oxazol-5-yl)-2-[2-nitro-4-(trifluoromethyl)phenoxy]acetamide
SMILESCc1cc(NC(=O)COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])on1
InChIInChI=1S/C13H10F3N3O5/c1-7-4-12(24-18-7)17-11(20)6-23-10-3-2-8(13(14,15)16)5-9(10)19(21)22/h2-5H,6H2,1H3,(H,17,20)
InChIKeyCNHQQELFELZSNE-UHFFFAOYSA-N
MW345.23 g/mol
LogP2.93
Rot. Bonds5

About N-(3-methyl-1,2-oxazol-5-yl)-2-[2-nitro-4-(trifluoromethyl)phenoxy]acetamide

N-(3-methyl-1,2-oxazol-5-yl)-2-[2-nitro-4-(trifluoromethyl)phenoxy]acetamide (PubChem CID 99841855) has the molecular formula C13H10F3N3O5 and a molecular weight of 345.23 g/mol. Its IUPAC name is N-(3-methyl-1,2-oxazol-5-yl)-2-[2-nitro-4-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(3-methyl-1,2-oxazol-5-yl)-2-[2-nitro-4-(trifluoromethyl)phenoxy]acetamide
PubChem CID99841855
Molecular FormulaC13H10F3N3O5
Molecular Weight345.23 g/mol
Exact Mass345.06
IUPAC NameN-(3-methyl-1,2-oxazol-5-yl)-2-[2-nitro-4-(trifluoromethyl)phenoxy]acetamide
SMILESCc1cc(NC(=O)COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])on1
InChIInChI=1S/C13H10F3N3O5/c1-7-4-12(24-18-7)17-11(20)6-23-10-3-2-8(13(14,15)16)5-9(10)19(21)22/h2-5H,6H2,1H3,(H,17,20)
InChIKeyCNHQQELFELZSNE-UHFFFAOYSA-N
XLogP2.93
TPSA107.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 52.93
H-Bond Donors ≤ 51
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'}

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Related Compounds

[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 4-methoxy-3-nitrobenzoate
CID 16961857
N-(1-acetylpiperidin-4-yl)-2-[2-nitro-4-(trifluoromethyl)phenoxy]acetamide
CID 75435434
ethyl [2-nitro-4-(trifluoromethyl)phenyl] carbonate
CID 30329
2-[[2-nitro-4-(trifluoromethyl)phenoxy]methyl]prop-2-en-1-amine
CID 103067417
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 4-ethoxy-3-nitrobenzoate
CID 9390533
2-[5-chloro-2-(2,2,2-trifluoroethoxy)anilino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 31697715
2-[2-nitro-4-(trifluoromethyl)phenoxy]propanamide
CID 82000895
N-(4-methyl-1,3-thiazol-2-yl)-2-(2-nitrophenoxy)acetamide
CID 2088036
tert-butyl N-[2-[2-nitro-4-(trifluoromethyl)phenoxy]ethyl]carbamate
CID 59520387
2-(5-fluoro-2-nitrophenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7846238
2-methyl-3-[2-nitro-4-(trifluoromethyl)phenoxy]propan-1-amine
CID 82000597
N-(2,6-difluorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 7473647

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,2-oxazol-5-yl)-2-[2-nitro-4-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-(3-methyl-1,2-oxazol-5-yl)-2-[2-nitro-4-(trifluoromethyl)phenoxy]acetamide (CID 99841855) is N-(3-methyl-1,2-oxazol-5-yl)-2-[2-nitro-4-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-(3-methyl-1,2-oxazol-5-yl)-2-[2-nitro-4-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-(3-methyl-1,2-oxazol-5-yl)-2-[2-nitro-4-(trifluoromethyl)phenoxy]acetamide is Cc1cc(NC(=O)COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])on1.
What is the InChIKey of N-(3-methyl-1,2-oxazol-5-yl)-2-[2-nitro-4-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is CNHQQELFELZSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O5/c1-7-4-12(24-18-7)17-11(20)6-23-10-3-2-8(13(14,15)16)5-9(10)19(21)22/h2-5H,6H2,1H3,(H,17,20).
What are the key properties of N-(3-methyl-1,2-oxazol-5-yl)-2-[2-nitro-4-(trifluoromethyl)phenoxy]acetamide?
N-(3-methyl-1,2-oxazol-5-yl)-2-[2-nitro-4-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 345.23 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,2-oxazol-5-yl)-2-[2-nitro-4-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 99841855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).