N-[3-(4-fluorophenoxy)-5-nitrophenyl]-1,2-oxazole-5-carboxamide

C16H10FN3O5 — CID 10236881

IUPACN-[3-(4-fluorophenoxy)-5-nitrophenyl]-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1)c1ccno1
InChIInChI=1S/C16H10FN3O5/c17-10-1-3-13(4-2-10)24-14-8-11(7-12(9-14)20(22)23)19-16(21)15-5-6-18-25-15/h1-9H,(H,19,21)
InChIKeyJBWHYZQRNAPQDH-UHFFFAOYSA-N
MW343.27 g/mol
LogP3.77
Rot. Bonds5

About N-[3-(4-fluorophenoxy)-5-nitrophenyl]-1,2-oxazole-5-carboxamide

N-[3-(4-fluorophenoxy)-5-nitrophenyl]-1,2-oxazole-5-carboxamide (PubChem CID 10236881) has the molecular formula C16H10FN3O5 and a molecular weight of 343.27 g/mol. Its IUPAC name is N-[3-(4-fluorophenoxy)-5-nitrophenyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenoxy)-5-nitrophenyl]-1,2-oxazole-5-carboxamide
PubChem CID10236881
Molecular FormulaC16H10FN3O5
Molecular Weight343.27 g/mol
Exact Mass343.06
IUPAC NameN-[3-(4-fluorophenoxy)-5-nitrophenyl]-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1)c1ccno1
InChIInChI=1S/C16H10FN3O5/c17-10-1-3-13(4-2-10)24-14-8-11(7-12(9-14)20(22)23)19-16(21)15-5-6-18-25-15/h1-9H,(H,19,21)
InChIKeyJBWHYZQRNAPQDH-UHFFFAOYSA-N
XLogP3.77
TPSA107.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 53.77
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

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CID 18587290
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CID 18587291
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CID 18587289
CID 18587289
CID 10125538
CID 10125538
CID 118387688
CID 118387688
CID 135350589
CID 135350589
CID 8003050
CID 8003050
CID 53600241
CID 53600241
CID 99827941
CID 99827941
CID 2811618
CID 2811618

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenoxy)-5-nitrophenyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[3-(4-fluorophenoxy)-5-nitrophenyl]-1,2-oxazole-5-carboxamide (CID 10236881) is N-[3-(4-fluorophenoxy)-5-nitrophenyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[3-(4-fluorophenoxy)-5-nitrophenyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[3-(4-fluorophenoxy)-5-nitrophenyl]-1,2-oxazole-5-carboxamide is O=C(Nc1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1)c1ccno1.
What is the InChIKey of N-[3-(4-fluorophenoxy)-5-nitrophenyl]-1,2-oxazole-5-carboxamide?
The InChIKey is JBWHYZQRNAPQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN3O5/c17-10-1-3-13(4-2-10)24-14-8-11(7-12(9-14)20(22)23)19-16(21)15-5-6-18-25-15/h1-9H,(H,19,21).
What are the key properties of N-[3-(4-fluorophenoxy)-5-nitrophenyl]-1,2-oxazole-5-carboxamide?
N-[3-(4-fluorophenoxy)-5-nitrophenyl]-1,2-oxazole-5-carboxamide has a molecular weight of 343.27 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenoxy)-5-nitrophenyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 10236881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).