N-(5-methyl-1,2-oxazol-3-yl)-5-(2-nitrophenyl)furan-2-carboxamide

C15H11N3O5 — CID 9291817

IUPACN-(5-methyl-1,2-oxazol-3-yl)-5-(2-nitrophenyl)furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)no1
InChIInChI=1S/C15H11N3O5/c1-9-8-14(17-23-9)16-15(19)13-7-6-12(22-13)10-4-2-3-5-11(10)18(20)21/h2-8H,1H3,(H,16,17,19)
InChIKeyKMBQCUZASMWIDJ-UHFFFAOYSA-N
MW313.27 g/mol
LogP3.40
Rot. Bonds4

About N-(5-methyl-1,2-oxazol-3-yl)-5-(2-nitrophenyl)furan-2-carboxamide

N-(5-methyl-1,2-oxazol-3-yl)-5-(2-nitrophenyl)furan-2-carboxamide (PubChem CID 9291817) has the molecular formula C15H11N3O5 and a molecular weight of 313.27 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-5-(2-nitrophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-5-(2-nitrophenyl)furan-2-carboxamide
PubChem CID9291817
Molecular FormulaC15H11N3O5
Molecular Weight313.27 g/mol
Exact Mass313.07
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-5-(2-nitrophenyl)furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)no1
InChIInChI=1S/C15H11N3O5/c1-9-8-14(17-23-9)16-15(19)13-7-6-12(22-13)10-4-2-3-5-11(10)18(20)21/h2-8H,1H3,(H,16,17,19)
InChIKeyKMBQCUZASMWIDJ-UHFFFAOYSA-N
XLogP3.40
TPSA111.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 53.40
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-(5-methyl-1,2-oxazol-3-yl)-5-(2-nitrophenyl)furan-2-carboxamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-5-(2-nitrophenyl)furan-2-carboxamide (CID 9291817) is N-(5-methyl-1,2-oxazol-3-yl)-5-(2-nitrophenyl)furan-2-carboxamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-5-(2-nitrophenyl)furan-2-carboxamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-5-(2-nitrophenyl)furan-2-carboxamide is Cc1cc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-5-(2-nitrophenyl)furan-2-carboxamide?
The InChIKey is KMBQCUZASMWIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O5/c1-9-8-14(17-23-9)16-15(19)13-7-6-12(22-13)10-4-2-3-5-11(10)18(20)21/h2-8H,1H3,(H,16,17,19).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-5-(2-nitrophenyl)furan-2-carboxamide?
N-(5-methyl-1,2-oxazol-3-yl)-5-(2-nitrophenyl)furan-2-carboxamide has a molecular weight of 313.27 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-5-(2-nitrophenyl)furan-2-carboxamide is sourced from PubChem (CID 9291817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).