N-(2-ethyl-1,3-benzoxazol-5-yl)-5-nitrofuran-2-carboxamide

C14H11N3O5 — CID 60556890

IUPACN-(2-ethyl-1,3-benzoxazol-5-yl)-5-nitrofuran-2-carboxamide
SMILESCCc1nc2cc(NC(=O)c3ccc([N+](=O)[O-])o3)ccc2o1
InChIInChI=1S/C14H11N3O5/c1-2-12-16-9-7-8(3-4-10(9)21-12)15-14(18)11-5-6-13(22-11)17(19)20/h3-7H,2H2,1H3,(H,15,18)
InChIKeyZJMKKVPRMNLILD-UHFFFAOYSA-N
MW301.26 g/mol
LogP3.14
Rot. Bonds4

About N-(2-ethyl-1,3-benzoxazol-5-yl)-5-nitrofuran-2-carboxamide

N-(2-ethyl-1,3-benzoxazol-5-yl)-5-nitrofuran-2-carboxamide (PubChem CID 60556890) has the molecular formula C14H11N3O5 and a molecular weight of 301.26 g/mol. Its IUPAC name is N-(2-ethyl-1,3-benzoxazol-5-yl)-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-1,3-benzoxazol-5-yl)-5-nitrofuran-2-carboxamide
PubChem CID60556890
Molecular FormulaC14H11N3O5
Molecular Weight301.26 g/mol
Exact Mass301.07
IUPAC NameN-(2-ethyl-1,3-benzoxazol-5-yl)-5-nitrofuran-2-carboxamide
SMILESCCc1nc2cc(NC(=O)c3ccc([N+](=O)[O-])o3)ccc2o1
InChIInChI=1S/C14H11N3O5/c1-2-12-16-9-7-8(3-4-10(9)21-12)15-14(18)11-5-6-13(22-11)17(19)20/h3-7H,2H2,1H3,(H,15,18)
InChIKeyZJMKKVPRMNLILD-UHFFFAOYSA-N
XLogP3.14
TPSA111.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 53.14
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

4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)benzamide
CID 60945682
4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)benzamide;hydrochloride
CID 75526044
N-[4-chloro-3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-5-nitrofuran-2-carboxamide
CID 23770310
2-(3,4-dichlorophenyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)acetamide
CID 52717820
N-(4-methyl-3-nitrophenyl)-5-nitrofuran-2-carboxamide
CID 17146040
N-(3,4-difluorophenyl)-5-nitrofuran-2-carboxamide
CID 5153997
5-chloro-N-(2-ethyl-1,3-benzoxazol-5-yl)pyrazine-2-carboxamide
CID 103803702
N-(3,5-dimethylphenyl)-5-nitrofuran-2-carboxamide
CID 757048
(2S)-2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)propanamide;hydrochloride
CID 119290751
1-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide;hydrochloride
CID 119725949
N-(2-ethyl-1,3-benzoxazol-5-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 60933557
5-nitro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-2-carboxamide
CID 4643764

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-1,3-benzoxazol-5-yl)-5-nitrofuran-2-carboxamide?
The IUPAC name of N-(2-ethyl-1,3-benzoxazol-5-yl)-5-nitrofuran-2-carboxamide (CID 60556890) is N-(2-ethyl-1,3-benzoxazol-5-yl)-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-(2-ethyl-1,3-benzoxazol-5-yl)-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-(2-ethyl-1,3-benzoxazol-5-yl)-5-nitrofuran-2-carboxamide is CCc1nc2cc(NC(=O)c3ccc([N+](=O)[O-])o3)ccc2o1.
What is the InChIKey of N-(2-ethyl-1,3-benzoxazol-5-yl)-5-nitrofuran-2-carboxamide?
The InChIKey is ZJMKKVPRMNLILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O5/c1-2-12-16-9-7-8(3-4-10(9)21-12)15-14(18)11-5-6-13(22-11)17(19)20/h3-7H,2H2,1H3,(H,15,18).
What are the key properties of N-(2-ethyl-1,3-benzoxazol-5-yl)-5-nitrofuran-2-carboxamide?
N-(2-ethyl-1,3-benzoxazol-5-yl)-5-nitrofuran-2-carboxamide has a molecular weight of 301.26 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-1,3-benzoxazol-5-yl)-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 60556890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).