5-[(4-methyl-2-nitrophenoxy)methyl]-N-(5-methyl-1,2-oxazol-3-yl)furan-2-carboxamide

C17H15N3O6 — CID 1235998

IUPAC5-[(4-methyl-2-nitrophenoxy)methyl]-N-(5-methyl-1,2-oxazol-3-yl)furan-2-carboxamide
SMILESCc1ccc(OCc2ccc(C(=O)Nc3cc(C)on3)o2)c([N+](=O)[O-])c1
InChIInChI=1S/C17H15N3O6/c1-10-3-5-14(13(7-10)20(22)23)24-9-12-4-6-15(25-12)17(21)18-16-8-11(2)26-19-16/h3-8H,9H2,1-2H3,(H,18,19,21)
InChIKeyOLXYXZCONWTBBE-UHFFFAOYSA-N
MW357.32 g/mol
LogP3.62
Rot. Bonds6

About 5-[(4-methyl-2-nitrophenoxy)methyl]-N-(5-methyl-1,2-oxazol-3-yl)furan-2-carboxamide

5-[(4-methyl-2-nitrophenoxy)methyl]-N-(5-methyl-1,2-oxazol-3-yl)furan-2-carboxamide (PubChem CID 1235998) has the molecular formula C17H15N3O6 and a molecular weight of 357.32 g/mol. Its IUPAC name is 5-[(4-methyl-2-nitrophenoxy)methyl]-N-(5-methyl-1,2-oxazol-3-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-methyl-2-nitrophenoxy)methyl]-N-(5-methyl-1,2-oxazol-3-yl)furan-2-carboxamide
PubChem CID1235998
Molecular FormulaC17H15N3O6
Molecular Weight357.32 g/mol
Exact Mass357.10
IUPAC Name5-[(4-methyl-2-nitrophenoxy)methyl]-N-(5-methyl-1,2-oxazol-3-yl)furan-2-carboxamide
SMILESCc1ccc(OCc2ccc(C(=O)Nc3cc(C)on3)o2)c([N+](=O)[O-])c1
InChIInChI=1S/C17H15N3O6/c1-10-3-5-14(13(7-10)20(22)23)24-9-12-4-6-15(25-12)17(21)18-16-8-11(2)26-19-16/h3-8H,9H2,1-2H3,(H,18,19,21)
InChIKeyOLXYXZCONWTBBE-UHFFFAOYSA-N
XLogP3.62
TPSA120.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.32
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 5-[(4-methyl-2-nitrophenoxy)methyl]-N-(5-methyl-1,2-oxazol-3-yl)furan-2-carboxamide?
The IUPAC name of 5-[(4-methyl-2-nitrophenoxy)methyl]-N-(5-methyl-1,2-oxazol-3-yl)furan-2-carboxamide (CID 1235998) is 5-[(4-methyl-2-nitrophenoxy)methyl]-N-(5-methyl-1,2-oxazol-3-yl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4-methyl-2-nitrophenoxy)methyl]-N-(5-methyl-1,2-oxazol-3-yl)furan-2-carboxamide?
The canonical SMILES for 5-[(4-methyl-2-nitrophenoxy)methyl]-N-(5-methyl-1,2-oxazol-3-yl)furan-2-carboxamide is Cc1ccc(OCc2ccc(C(=O)Nc3cc(C)on3)o2)c([N+](=O)[O-])c1.
What is the InChIKey of 5-[(4-methyl-2-nitrophenoxy)methyl]-N-(5-methyl-1,2-oxazol-3-yl)furan-2-carboxamide?
The InChIKey is OLXYXZCONWTBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O6/c1-10-3-5-14(13(7-10)20(22)23)24-9-12-4-6-15(25-12)17(21)18-16-8-11(2)26-19-16/h3-8H,9H2,1-2H3,(H,18,19,21).
What are the key properties of 5-[(4-methyl-2-nitrophenoxy)methyl]-N-(5-methyl-1,2-oxazol-3-yl)furan-2-carboxamide?
5-[(4-methyl-2-nitrophenoxy)methyl]-N-(5-methyl-1,2-oxazol-3-yl)furan-2-carboxamide has a molecular weight of 357.32 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methyl-2-nitrophenoxy)methyl]-N-(5-methyl-1,2-oxazol-3-yl)furan-2-carboxamide is sourced from PubChem (CID 1235998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).