N-(4-fluoro-3-nitrophenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C15H10FN3O5 — CID 26696753

IUPACN-(4-fluoro-3-nitrophenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C15H10FN3O5/c16-10-6-5-9(7-12(10)19(22)23)17-14(20)8-18-11-3-1-2-4-13(11)24-15(18)21/h1-7H,8H2,(H,17,20)
InChIKeyZWTASQLPINXJMQ-UHFFFAOYSA-N
MW331.26 g/mol
LogP2.28
Rot. Bonds4

About N-(4-fluoro-3-nitrophenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-(4-fluoro-3-nitrophenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 26696753) has the molecular formula C15H10FN3O5 and a molecular weight of 331.26 g/mol. Its IUPAC name is N-(4-fluoro-3-nitrophenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-fluoro-3-nitrophenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID26696753
Molecular FormulaC15H10FN3O5
Molecular Weight331.26 g/mol
Exact Mass331.06
IUPAC NameN-(4-fluoro-3-nitrophenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C15H10FN3O5/c16-10-6-5-9(7-12(10)19(22)23)17-14(20)8-18-11-3-1-2-4-13(11)24-15(18)21/h1-7H,8H2,(H,17,20)
InChIKeyZWTASQLPINXJMQ-UHFFFAOYSA-N
XLogP2.28
TPSA107.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.26
LogP ≤ 52.28
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-(4-chloro-3-nitroanilino)-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 7401470
N-(3-hydroxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 18886705
N-dibenzofuran-3-yl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 2961461
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 2114683
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 1293188
N-(4-fluoro-3-nitrophenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 27667264
N-(2-chloro-4-nitrophenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 18886699
N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 52711183
N-(2-fluoro-5-nitrophenyl)-2-(5-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 35353920
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 2973944
methyl 2-chloro-5-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzoate
CID 38238411
N-(4-amino-3,5-dichlorophenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 55450997

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-nitrophenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-(4-fluoro-3-nitrophenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 26696753) is N-(4-fluoro-3-nitrophenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-(4-fluoro-3-nitrophenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-(4-fluoro-3-nitrophenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is O=C(Cn1c(=O)oc2ccccc21)Nc1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-fluoro-3-nitrophenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is ZWTASQLPINXJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3O5/c16-10-6-5-9(7-12(10)19(22)23)17-14(20)8-18-11-3-1-2-4-13(11)24-15(18)21/h1-7H,8H2,(H,17,20).
What are the key properties of N-(4-fluoro-3-nitrophenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-(4-fluoro-3-nitrophenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 331.26 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-nitrophenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 26696753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).