N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-5-nitrofuran-2-carboxamide

C18H10FN3O5 — CID 3116398

IUPACN-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-5-nitrofuran-2-carboxamide
SMILESO=C(Nc1ccc2oc(-c3ccccc3F)nc2c1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C18H10FN3O5/c19-12-4-2-1-3-11(12)18-21-13-9-10(5-6-14(13)27-18)20-17(23)15-7-8-16(26-15)22(24)25/h1-9H,(H,20,23)
InChIKeyMPBUAFFRHLZTER-UHFFFAOYSA-N
MW367.29 g/mol
LogP4.39
Rot. Bonds4

About N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-5-nitrofuran-2-carboxamide

N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-5-nitrofuran-2-carboxamide (PubChem CID 3116398) has the molecular formula C18H10FN3O5 and a molecular weight of 367.29 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-5-nitrofuran-2-carboxamide
PubChem CID3116398
Molecular FormulaC18H10FN3O5
Molecular Weight367.29 g/mol
Exact Mass367.06
IUPAC NameN-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-5-nitrofuran-2-carboxamide
SMILESO=C(Nc1ccc2oc(-c3ccccc3F)nc2c1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C18H10FN3O5/c19-12-4-2-1-3-11(12)18-21-13-9-10(5-6-14(13)27-18)20-17(23)15-7-8-16(26-15)22(24)25/h1-9H,(H,20,23)
InChIKeyMPBUAFFRHLZTER-UHFFFAOYSA-N
XLogP4.39
TPSA111.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.29
LogP ≤ 54.39
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-5-nitrofuran-2-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-5-nitrofuran-2-carboxamide (CID 3116398) is N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-5-nitrofuran-2-carboxamide is O=C(Nc1ccc2oc(-c3ccccc3F)nc2c1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-5-nitrofuran-2-carboxamide?
The InChIKey is MPBUAFFRHLZTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10FN3O5/c19-12-4-2-1-3-11(12)18-21-13-9-10(5-6-14(13)27-18)20-17(23)15-7-8-16(26-15)22(24)25/h1-9H,(H,20,23).
What are the key properties of N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-5-nitrofuran-2-carboxamide?
N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-5-nitrofuran-2-carboxamide has a molecular weight of 367.29 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 3116398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).